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

Systemtic Name: 3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-1,2,3-benzotriazin-4-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23N5O2/c1-16(26-21(28)18-9-5-6-10-19(18)22-23-26)20(27)25-13-11-24(12-14-25)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/p+1/t16-/m0/s1