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

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C20H25N3O5S/c1-28-20-8-4-3-7-16(20)19(22-11-5-6-12-22)14-21-17-10-9-15(29(2,26)27)13-18(17)23(24)25/h3-4,7-10,13,19,21H,5-6,11-12,14H2,1-2H3/p+1/t19-/m0/s1