(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino) benzoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino) benzoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino) benzoate CAS Name: benzoic acid (3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino) benzoate Traditional Name: benzoic acid (3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino) ester Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(=[NH+]CC1)NOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c16-13(11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-14-12/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)/p+1