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

Systemtic Name: 3,4-dimethyl-N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 3,4-dimethyl-N-[(Z)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 3,4-dimethyl-N-[(Z)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 3,4-dimethyl-N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 3,4-dimethyl-N-[(Z)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H25N3O2S/c1-15-6-7-17(13-16(15)2)20(25)22-19(14-18-5-4-12-27-18)21(26)24-10-8-23(3)9-11-24/h4-7,12-14H,8-11H2,1-3H3,(H,22,25)/p+1/b19-14-