N-[1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[1-benzyl-2-(4-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[1-benzyl-2-keto-2-(p-toluidino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C22H27N3O2/c1-16-7-9-19(10-8-16)24-22(27)20(15-17-5-3-2-4-6-17)25-21(26)18-11-13-23-14-12-18/h2-10,18,20,23H,11-15H2,1H3,(H,24,27)(H,25,26)/p+1