1-[(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1S)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H29ClN3O3+ MolecularWeight: 430.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28ClN3O3/c1-16(22(28)26-19-8-9-21(30-2)20(24)14-19)27-12-10-18(11-13-27)23(29)25-15-17-6-4-3-5-7-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,25,29)(H,26,28)/p+1/t16-/m0/s1