3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-pyridyl)vinyl]benzamide CAS Name: 3,4-dimethoxy-N-[(E)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(3-pyridyl)vinyl]benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CN=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N4O4/c1-25-9-11-26(12-10-25)22(28)18(13-16-5-4-8-23-15-16)24-21(27)17-6-7-19(29-2)20(14-17)30-3/h4-8,13-15H,9-12H2,1-3H3,(H,24,27)/p+1/b18-13+