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

Systemtic Name: 4-methyl-N-[(Z)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 4-methyl-N-[(Z)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 4-methyl-N-[(Z)-3-[3-(4-morpholin-4-iumyl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 4-methyl-N-[(Z)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 4-methyl-N-[(Z)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]benzamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H27N3O3S/c1-17-5-7-18(8-6-17)21(26)24-20(16-19-4-2-15-29-19)22(27)23-9-3-10-25-11-13-28-14-12-25/h2,4-8,15-16H,3,9-14H2,1H3,(H,23,27)(H,24,26)/p+1/b20-16-