2-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]-1H-quinazolin-4-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H22N4O2/c1-20-9-4-10-21(12-11-20)16(22)8-7-15-18-14-6-3-2-5-13(14)17(23)19-15/h2-3,5-6H,4,7-12H2,1H3,(H,18,19,23)/p+1