3-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Formula: C24H29N6O2+ MolecularWeight: 433.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H28N6O2/c31-23(29-15-13-28(14-16-29)22-7-3-4-12-25-22)19-10-8-18(9-11-19)17-30-24(32)20-5-1-2-6-21(20)26-27-30/h1-7,12,18-19H,8-11,13-17H2/p+1