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

Systemtic Name: 4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 4-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N5O/c1-13-17-14(5-4-6-15(17)24)21-18(20-13)23-11-9-22(10-12-23)16-7-2-3-8-19-16/h2-3,7-8H,4-6,9-12H2,1H3/p+1