Chemical ID: 7235694

CC(CCc1ccccc1)[NH2+]Cc2ccccc2
Chemical ID:
7235694
Name [?]:
benzyl-(1-methyl-3-phenyl-propyl)-ammonium
SMILES [?]:
CC(CCc1ccccc1)[NH2+]Cc2ccccc2
InChi [?]:
InChI=1/C17H21N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,16,7,9,15,17,6,10,14,18,3,4,12,2,5,13,11/E:(4,5)(6,7)(8,9)(10,11)/rA:18cCCCCCCCCCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N+
All Atoms:40
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:-21.0552
Area:470.692
Solvation:-32.8225
Coulombic:30.9431
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.22
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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