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

Systemtic Name: 3-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1S)-2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,2,3-benzotriazin-4-one Formula: C15H20N5O2+ MolecularWeight: 302.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2/c1-11(14(21)19-9-7-18(2)8-10-19)20-15(22)12-5-3-4-6-13(12)16-17-20/h3-6,11H,7-10H2,1-2H3/p+1/t11-/m0/s1