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

Systemtic Name: N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-nitrophenyl)vinyl]benzamide CAS Name: N-[(Z)-3-(4-methyl-1-piperazin-4-iumyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-nitrophenyl)vinyl]benzamide Formula: C21H23N4O4+ MolecularWeight: 395.43172

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-23-10-12-24(13-11-23)21(27)19(22-20(26)17-7-3-2-4-8-17)15-16-6-5-9-18(14-16)25(28)29/h2-9,14-15H,10-13H2,1H3,(H,22,26)/p+1/b19-15-