N-[(Z)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(1H-pyrrol-2-yl)vinyl]benzamide CAS Name: N-[(Z)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxo-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxo-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-(1H-pyrrol-2-yl)vinyl]benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CC=CN2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C/C2=CC=CN2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c25-19(16-5-2-1-3-6-16)23-18(15-17-7-4-8-21-17)20(26)22-9-10-24-11-13-27-14-12-24/h1-8,15,21H,9-14H2,(H,22,26)(H,23,25)/p+1/b18-15-