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

Systemtic Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c1-15(16-6-5-7-17(14-16)21(22)23)19-10-12-20(13-11-19)26(24,25)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3/p+1/t15-/m1/s1