N-[(E)-1-(1-methylpyrrol-2-yl)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-1-(1-methyl-2-pyrrolyl)-3-[3-(4-morpholin-4-iumyl)propylamino]-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)vinyl]thiophene-2-carboxamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C(=O)NCCC[NH+]2CCOCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CN1C=CC=C1/C=C(\C(=O)NCCC[NH+]2CCOCC2)/NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O3S/c1-23-8-2-5-16(23)15-17(22-20(26)18-6-3-14-28-18)19(25)21-7-4-9-24-10-12-27-13-11-24/h2-3,5-6,8,14-15H,4,7,9-13H2,1H3,(H,21,25)(H,22,26)/p+1/b17-15+