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

Systemtic Name: N-[(Z)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide CAS Name: N-[(Z)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-22-10-6-11-23(13-12-22)20(25)18(15-17-9-5-14-26-17)21-19(24)16-7-3-2-4-8-16/h2-5,7-9,14-15H,6,10-13H2,1H3,(H,21,24)/p+1/b18-15-