2-[cycloheptyl-[(4-ethylphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[cycloheptyl-[(4-ethylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[cycloheptyl-[(4-ethylphenyl)methyl]ammonio]acetate CAS Name: 2-[cycloheptyl-[(4-ethylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[cycloheptyl-[(4-ethylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[cycloheptyl-(4-ethylbenzyl)ammonio]acetate Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CC(=O)[O-])C2CCCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CC(=O)[O-])C2CCCCCC2

InChI

InChI=1S/C18H27NO2/c1-2-15-9-11-16(12-10-15)13-19(14-18(20)21)17-7-5-3-4-6-8-17/h9-12,17H,2-8,13-14H2,1H3,(H,20,21)