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cyclopentanecarboxylate; dodecyl-dimethyl-(phenylmethyl)azanium

cyclopentanecarboxylate; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name:cyclopentanecarboxylate; dodecyl-dimethyl-(phenylmethyl)azanium
Openeye Name:benzyl-dodecyl-dimethyl-ammonium; cyclopentanecarboxylate
CAS Name:cyclopentanecarboxylate; dodecyl-dimethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-dodecyl-dimethylazanium; cyclopentanecarboxylate
Traditional Name:benzyl-lauryl-dimethyl-ammonium; cyclopentanecarboxylate
Formula: C27H47NO2
MolecularWeight: 417.66758
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1CCC(C1)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1CCC(C1)C(=O)[O-]


InChI

InChI=1S/C21H38N.C6H10O2/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;7-6(8)5-3-1-2-4-5/h13-15,17-18H,4-12,16,19-20H2,1-3H3;5H,1-4H2,(H,7,8)/q+1;/p-1


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