[(1R)-1-(4-methoxyphenyl)-2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-methoxyphenyl)-2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-methoxyphenyl)-2-[2-nitro-4-(1-piperidylsulfonyl)anilino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-methoxyphenyl)-2-[2-nitro-4-(1-piperidinylsulfonyl)anilino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-methoxyphenyl)-2-(2-nitro-4-piperidin-1-ylsulfonylanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-(2-nitro-4-piperidinosulfonyl-anilino)ethyl]-dimethyl-ammonium Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O5S/c1-24(2)22(17-7-9-18(31-3)10-8-17)16-23-20-12-11-19(15-21(20)26(27)28)32(29,30)25-13-5-4-6-14-25/h7-12,15,22-23H,4-6,13-14,16H2,1-3H3/p+1/t22-/m0/s1