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Chemical ID: 4619619

Cc1ccccc1NC(=O)C[N+]23CC[N+](CC2)(CC3)CC(=O)Nc4ccccc4C

Chemical ID:

4619619

Name [?]:

N-(o-tolyl)-2-[4-(o-tolylcarbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]oct-1-yl]-acetamide

SMILES [?]:

Cc1ccccc1NC(=O)C[N+]23CC[N+](CC2)(CC3)CC(=O)Nc4ccccc4C

InChi [?]:

InChI=1/C24H30N4O2/c1-19-7-3-5-9-21(19)25-23(29)17-27-11-14-28(15-12-27,16-13-27)18-24(30)26-22-10-6-4-8-20(22)2/h3-10H,11-18H2,1-2H3/p+2

InChi Info:

AuxInfo=1/5/N:1,30,4,27,5,26,3,28,6,25,13,17,19,14,16,18,11,20,2,29,7,24,9,21,8,23,12,15,10,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:27+1,28+1,29-1,30-1/rA:30nCCCCCCCNCOCN+CCN+CCCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s12s18;s15;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₄O₂₊₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	-83.0038
Area:	621.907
Solvation:	-98.5515
Coulombic:	64.261

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	408.537
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	-1.12
LogP (Chemaxon):	-7.57

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value