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

Systemtic Name: [(1R)-1-(4-methoxyphenyl)-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-methoxyphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-methoxyphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-methoxyphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl]-dimethyl-ammonium Formula: C21H29N4O5S+ MolecularWeight: 449.54376

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[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)N2CCCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O5S/c1-23(2)21(16-6-8-17(30-3)9-7-16)15-22-19-11-10-18(14-20(19)25(26)27)31(28,29)24-12-4-5-13-24/h6-11,14,21-22H,4-5,12-13,15H2,1-3H3/p+1/t21-/m0/s1