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

Systemtic Name: N-[(Z)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-2-(1H-pyrrol-2-yl)vinyl]benzamide CAS Name: N-[(Z)-3-[3-(4-morpholin-4-iumyl)propylamino]-3-oxo-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxo-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(3-morpholin-4-ium-4-ylpropylcarbamoyl)-2-(1H-pyrrol-2-yl)vinyl]benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c26-20(17-6-2-1-3-7-17)24-19(16-18-8-4-9-22-18)21(27)23-10-5-11-25-12-14-28-15-13-25/h1-4,6-9,16,22H,5,10-15H2,(H,23,27)(H,24,26)/p+1/b19-16-