4-[[2-(cyclohexen-1-yl)ethylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[2-(cyclohexen-1-yl)ethylazaniumyl]methyl]benzoate Openeye Name: 4-[[2-(cyclohexen-1-yl)ethylammonio]methyl]benzoate CAS Name: 4-[[2-(1-cyclohexenyl)ethylammonio]methyl]benzoate IUPAC Name: 4-[[2-(cyclohexen-1-yl)ethylazaniumyl]methyl]benzoate Traditional Name: 4-[[2-(cyclohexen-1-yl)ethylammonio]methyl]benzoate Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO2/c18-16(19)15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h4,6-9,17H,1-3,5,10-12H2,(H,18,19)