N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])[NH+]4CCCC4

InChI

InChI=1S/C23H30N4O5S/c1-32-19-8-6-18(7-9-19)23(25-12-2-3-13-25)17-24-21-11-10-20(16-22(21)27(28)29)33(30,31)26-14-4-5-15-26/h6-11,16,23-24H,2-5,12-15,17H2,1H3/p+1/t23-/m0/s1