1-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-3-19-9-11-22(12-10-19)26-23(28)18(2)27-15-13-21(14-16-27)24(29)25-17-20-7-5-4-6-8-20/h4-12,18,21H,3,13-17H2,1-2H3,(H,25,29)(H,26,28)/p+1/t18-/m0/s1