3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-(2-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-3-(2-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-(4-keto-2-methyl-quinazolin-3-yl)propionamide Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C17H16N4O3/c1-11-19-13-6-3-2-5-12(13)17(24)21(11)10-8-15(23)20-16-14(22)7-4-9-18-16/h2-7,9,22H,8,10H2,1H3,(H,18,20,23)/p+1