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

Systemtic Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(1-methyl-2-pyrrolyl)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-24-10-5-8-18(24)16-19(23-20(26)17-6-3-2-4-7-17)21(27)22-9-11-25-12-14-28-15-13-25/h2-8,10,16H,9,11-15H2,1H3,(H,22,27)(H,23,26)/p+1/b19-16+