3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)quinazolin-4-one

Systemtic Name: 3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)quinazolin-4-one Openeye Name: 3-(3-oxo-3-piperazin-4-ium-1-yl-propyl)quinazolin-4-one CAS Name: 3-[3-oxo-3-(1-piperazin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 3-(3-oxo-3-piperazin-4-ium-1-ylpropyl)quinazolin-4-one Traditional Name: 3-(3-keto-3-piperazin-4-ium-1-yl-propyl)quinazolin-4-one Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C15H18N4O2/c20-14(18-9-6-16-7-10-18)5-8-19-11-17-13-4-2-1-3-12(13)15(19)21/h1-4,11,16H,5-10H2/p+1