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

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]quinazolin-4-one Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N5O2/c26-19(24-13-11-23(12-14-24)18-7-3-4-9-21-18)8-10-25-15-22-17-6-2-1-5-16(17)20(25)27/h1-7,9,15H,8,10-14H2/p+1