3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O3S/c25-19-17-8-4-5-9-18(17)20-21-24(19)15-22-10-12-23(13-11-22)28(26,27)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1