(2S)-N-(3-methoxyphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-methoxyphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(3-methoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCNC(=O)C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O3/c1-25-16-9-5-8-15(12-16)21-19(24)18(14-6-3-2-4-7-14)22-11-10-20-17(23)13-22/h2-9,12,18H,10-11,13H2,1H3,(H,20,23)(H,21,24)/p+1/t18-/m0/s1