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

Systemtic Name: N-[(Z)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3,4-dimethyl-benzamide Openeye Name: N-[(Z)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]-3,4-dimethyl-benzamide CAS Name: N-[(Z)-3-(4-ethyl-1-piperazin-4-iumyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide IUPAC Name: N-[(Z)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[(Z)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]-3,4-dimethyl-benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-24-9-11-25(12-10-24)22(27)20(15-19-6-5-13-28-19)23-21(26)18-8-7-16(2)17(3)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,26)/p+1/b20-15-