[(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate

Systemtic Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate Openeye Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate CAS Name: benzoic acid [(1-methyl-4-piperidin-1-iumylidene)amino] ester IUPAC Name: [(1-methylpiperidin-1-ium-4-ylidene)amino] benzoate Traditional Name: benzoic acid [(1-methylpiperidin-1-ium-4-ylidene)amino] ester Formula: C13H17N2O2+ MolecularWeight: 233.28628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NOC(=O)C2=CC=CC=C2)CC1

Isomeric SMILES

C[NH+]1CCC(=NOC(=O)C2=CC=CC=C2)CC1

InChI

InChI=1S/C13H16N2O2/c1-15-9-7-12(8-10-15)14-17-13(16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3/p+1