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

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-nosyl-piperazin-1-ium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c21-20(22)16-6-8-17(9-7-16)25(23,24)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1