3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]-1,2,3-benzotriazin-4-one Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H21N5O2/c1-19-9-11-20(12-10-19)15(22)7-4-8-21-16(23)13-5-2-3-6-14(13)17-18-21/h2-3,5-6H,4,7-12H2,1H3/p+1