Chemical ID: 4952327

CC(CC(c1ccccc1)(c2ccccc2)C(=O)NC)[N+](C)(C)C
Chemical ID:
4952327
Name [?]:
trimethyl-[1-methyl-3-(methylcarbamoyl)-3,3-diphenyl-propyl]-ammonium
SMILES [?]:
CC(CC(c1ccccc1)(c2ccccc2)C(=O)NC)[N+](C)(C)C
InChi [?]:
InChI=1/C21H28N2O/c1-17(23(3,4)5)16-21(20(24)22-2,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/p+1
InChi Info:
AuxInfo=1/5/N:1,20,22,23,24,8,14,7,9,13,15,6,10,12,16,3,2,5,11,17,4,19,21,18/E:(3,4,5)(6,7)(8,9,10,11)(12,13,14,15)(18,19)/CRV:23+1,24-1/rA:24cCCCCCCCCCCCCCCCCCONCN+CCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s4;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N2O+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-16.4001
Area:511.223
Solvation:-29.1807
Coulombic:-0.622161
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:325.468
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):-0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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