2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=NC=C2C(=O)C1)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC2=NC(=NC=C2C(=O)C1)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H19N5O/c23-15-5-3-4-14-13(15)12-19-17(20-14)22-10-8-21(9-11-22)16-6-1-2-7-18-16/h1-2,6-7,12H,3-5,8-11H2/p+1