[1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-yl] benzoate

Systemtic Name: [1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-yl] benzoate Openeye Name: [1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-piperidin-1-iumyl] ester IUPAC Name: [1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [1-(2-keto-2-mesidino-ethyl)piperidin-1-ium-4-yl] ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O3/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-25-11-9-20(10-12-25)28-23(27)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,26)/p+1