2-[5-azanyl-1-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-4-keto-1-(2-morpholin-4-ium-4-ylethyl)-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1COCC[NH+]1CCN2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H21N5O3/c19-16-15(17-20-13-4-2-1-3-12(13)18(25)21-17)14(24)11-23(16)6-5-22-7-9-26-10-8-22/h1-4H,5-11,19H2,(H,20,21,25)/p+1