(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-26-16-8-7-14(11-15(16)20)22-19(25)18(13-5-3-2-4-6-13)23-10-9-21-17(24)12-23/h2-8,11,18H,9-10,12H2,1H3,(H,21,24)(H,22,25)/p+1/t18-/m0/s1