1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-tosyl-piperazin-1-ium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-14-2-8-17(9-3-14)25(23,24)19-12-10-18(11-13-19)15-4-6-16(7-5-15)20(21)22/h2-9H,10-13H2,1H3/p+1