dimethyl-[[4-oxidanylidene-3-(2-oxidanylidenepropyl)quinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-oxidanylidene-3-(2-oxidanylidenepropyl)quinazolin-2-yl]methyl]azanium Openeye Name: (3-acetonyl-4-oxo-quinazolin-2-yl)methyl-dimethyl-ammonium CAS Name: dimethyl-[[4-oxo-3-(2-oxopropyl)-2-quinazolinyl]methyl]ammonium IUPAC Name: dimethyl-[[4-oxo-3-(2-oxopropyl)quinazolin-2-yl]methyl]azanium Traditional Name: (3-acetonyl-4-keto-quinazolin-2-yl)methyl-dimethyl-ammonium Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+](C)C

Isomeric SMILES

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+](C)C

InChI

InChI=1S/C14H17N3O2/c1-10(18)8-17-13(9-16(2)3)15-12-7-5-4-6-11(12)14(17)19/h4-7H,8-9H2,1-3H3/p+1