N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(p-anisylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C23H29N3O3/c1-29-20-9-7-18(8-10-20)16-25-23(28)21(15-17-5-3-2-4-6-17)26-22(27)19-11-13-24-14-12-19/h2-10,19,21,24H,11-16H2,1H3,(H,25,28)(H,26,27)/p+1/t21-/m0/s1