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

Systemtic Name: 3-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1R)-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1R)-1-(4-methylpiperazin-4-ium-1-carbonyl)propyl]-1,2,3-benzotriazin-4-one Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)C)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)C)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H21N5O2/c1-3-14(16(23)20-10-8-19(2)9-11-20)21-15(22)12-6-4-5-7-13(12)17-18-21/h4-7,14H,3,8-11H2,1-2H3/p+1/t14-/m1/s1