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

Systemtic Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-1-(1-methyl-2-pyrrolyl)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]thiophene-2-carboxamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-22-7-2-4-15(22)14-16(21-19(25)17-5-3-13-27-17)18(24)20-6-8-23-9-11-26-12-10-23/h2-5,7,13-14H,6,8-12H2,1H3,(H,20,24)(H,21,25)/p+1/b16-14+