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

Systemtic Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(1-methyl-2-pyrrolyl)-3-oxo-3-[2-(1-pyrrolidin-1-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(2-pyrrolidin-1-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(1-methylpyrrol-2-yl)-1-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C(=O)NCC[NH+]2CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1/C=C(\C(=O)NCC[NH+]2CCCC2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-24-12-7-10-18(24)16-19(23-20(26)17-8-3-2-4-9-17)21(27)22-11-15-25-13-5-6-14-25/h2-4,7-10,12,16H,5-6,11,13-15H2,1H3,(H,22,27)(H,23,26)/p+1/b19-16+