3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C22H22N5O3S+ MolecularWeight: 436.50678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N5O3S/c28-22-20-7-3-4-8-21(20)23-24-27(22)16-25-11-13-26(14-12-25)31(29,30)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15H,11-14,16H2/p+1