Chemical ID: 6759755

CC(C)C1CC(CCO1)(CC[NH2+]Cc2ccco2)c3ccccc3
Chemical ID:
6759755
Name [?]:
2-furylmethyl-[2-(2-isopropyl-4-phenyl-tetrahydropyran-4-yl)ethyl]ammonium
SMILES [?]:
CC(C)C1CC(CCO1)(CC[NH2+]Cc2ccco2)c3ccccc3
InChi [?]:
InChI=1/C21H29NO2/c1-17(2)20-15-21(11-14-24-20,18-7-4-3-5-8-18)10-12-22-16-19-9-6-13-23-19/h3-9,13,17,20,22H,10-12,14-16H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,22,21,23,16,20,24,15,10,7,11,17,8,5,13,2,19,14,4,6,12,18,9/E:(1,2)(4,5)(7,8)/rA:24cCCCCCCCCOCCN+CCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s6;s10;s11;s12;s13;d14;s15;d16;s14s17;s6;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30NO2+
All Atoms:54
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:-22.3158
Area:562.585
Solvation:-36.3805
Coulombic:18.8521
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:328.468
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.54
LogP (Chemaxon):4.04

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Descriptor Annotations

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