1-[(2-nitrophenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(2-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)17-9-5-4-6-15(17)14-18-10-12-19(13-11-18)25(23,24)16-7-2-1-3-8-16/h1-9H,10-14H2/p+1