3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-indole Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-23(25)18-7-3-4-8-19(18)28(26,27)22-11-9-21(10-12-22)14-15-13-20-17-6-2-1-5-16(15)17/h1-8,13,20H,9-12,14H2/p+1