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

Systemtic Name: 1-[2-[ethyl-(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(N-ethyl-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(N-ethyl-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(N-ethyl-2-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

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