1-[(3-nitrophenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(3-nitrobenzyl)piperazin-4-ium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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