1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(2-keto-2-mesidino-ethyl)piperidin-1-ium-4-carboxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H31N3O2/c1-17-13-18(2)23(19(3)14-17)26-22(28)16-27-11-9-21(10-12-27)24(29)25-15-20-7-5-4-6-8-20/h4-8,13-14,21H,9-12,15-16H2,1-3H3,(H,25,29)(H,26,28)/p+1