4-(4-butylpiperazin-4-ium-1-yl)carbonylquinazolin-2-olate

Systemtic Name: 4-(4-butylpiperazin-4-ium-1-yl)carbonylquinazolin-2-olate Openeye Name: 4-(4-butylpiperazin-4-ium-1-carbonyl)quinazolin-2-olate CAS Name: 4-[(4-butyl-1-piperazin-4-iumyl)-oxomethyl]-2-quinazolinolate IUPAC Name: 4-(4-butylpiperazin-4-ium-1-carbonyl)quinazolin-2-olate Traditional Name: 4-(4-butylpiperazin-4-ium-1-carbonyl)quinazolin-2-olate Formula: C17H22N4O2 MolecularWeight: 314.38218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCN(CC1)C(=O)C2=NC(=NC3=CC=CC=C32)[O-]

Isomeric SMILES

CCCC[NH+]1CCN(CC1)C(=O)C2=NC(=NC3=CC=CC=C32)[O-]

InChI

InChI=1S/C17H22N4O2/c1-2-3-8-20-9-11-21(12-10-20)16(22)15-13-6-4-5-7-14(13)18-17(23)19-15/h4-7H,2-3,8-12H2,1H3,(H,18,19,23)