N-[3-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide CAS Name: N-[3-(4-methyl-1-piperazin-4-iumyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N4O4S/c1-21-7-9-22(10-8-21)19(25)16(20-18(24)17-6-3-11-28-17)13-14-4-2-5-15(12-14)23(26)27/h2-6,11-13H,7-10H2,1H3,(H,20,24)/p+1