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

Systemtic Name: 3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 3,4-dimethoxy-N-[(E)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC=CS2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C\C2=CC=CS2)/NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-23-8-10-24(11-9-23)21(26)17(14-16-5-4-12-29-16)22-20(25)15-6-7-18(27-2)19(13-15)28-3/h4-7,12-14H,8-11H2,1-3H3,(H,22,25)/p+1/b17-14+