1-[(2R)-1-naphthalen-2-ylsulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(2R)-1-naphthalen-2-ylsulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(1R)-1-methyl-2-(2-naphthylsulfonyl)ethyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(2R)-1-(2-naphthalenylsulfonyl)propan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2R)-1-naphthalen-2-ylsulfonylpropan-2-yl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(1R)-1-methyl-2-(2-naphthylsulfonyl)ethyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC2=CC=CC=C2C=C1)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CS(=O)(=O)C1=CC2=CC=CC=C2C=C1)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4S/c1-18(17-31(29,30)23-11-6-19-4-2-3-5-20(19)16-23)24-12-14-25(15-13-24)21-7-9-22(10-8-21)26(27)28/h2-11,16,18H,12-15,17H2,1H3/p+1/t18-/m1/s1