N-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)-2-oxidanylidene-2-phenyl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)-2-oxidanylidene-2-phenyl-ethyl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)-2-oxo-2-phenyl-ethyl]thiophene-2-carboxamide CAS Name: N-[(1S)-1-(4-methyl-1-piperazin-1-iumyl)-2-oxo-2-phenylethyl]-2-thiophenecarboxamide IUPAC Name: N-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)-2-oxo-2-phenylethyl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-ethyl]thiophene-2-carboxamide Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CN1CC[NH+](CC1)[C@@H](C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O2S/c1-20-9-11-21(12-10-20)17(16(22)14-6-3-2-4-7-14)19-18(23)15-8-5-13-24-15/h2-8,13,17H,9-12H2,1H3,(H,19,23)/p+1/t17-/m0/s1