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

Systemtic Name: 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: 3-(3-methyl-4-oxo-quinazolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)-N-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: 3-(3-methyl-4-oxoquinazolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C17H23N5O2/c1-20-9-11-22(12-10-20)19-16(23)8-7-15-18-14-6-4-3-5-13(14)17(24)21(15)2/h3-6H,7-12H2,1-2H3,(H,19,23)/p+1