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

Systemtic Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]cyclohexyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H27N5O2/c1-23-10-12-24(13-11-23)19(26)16-8-6-15(7-9-16)14-25-20(27)17-4-2-3-5-18(17)21-22-25/h2-5,15-16H,6-14H2,1H3/p+1