3-[3-oxidanylidene-3-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]propyl]-4-quinazolinone IUPAC Name: 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N5O2/c28-21(8-12-27-17-24-20-4-2-1-3-19(20)22(27)29)26-15-13-25(14-16-26)11-7-18-5-9-23-10-6-18/h1-6,9-10,17H,7-8,11-16H2/p+1