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

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(p-anisylamino)ethyl]piperazin-4-ium-1-carboxamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C22H28N4O3/c1-29-19-9-7-18(8-10-19)16-24-21(27)20(15-17-5-3-2-4-6-17)25-22(28)26-13-11-23-12-14-26/h2-10,20,23H,11-16H2,1H3,(H,24,27)(H,25,28)/p+1/t20-/m0/s1