(2S,4R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxy-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)thio]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(2-hydroxy-4-methoxy-benzyl)-4-[(4-methoxyphenyl)thio]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(C[NH+]1CC2=C(C=C(C=C2)OC)O)SC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](C[NH+]1CC2=C(C=C(C=C2)OC)O)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-23(2)22(26)20-12-19(29-18-9-7-16(27-3)8-10-18)14-24(20)13-15-5-6-17(28-4)11-21(15)25/h5-11,19-20,25H,12-14H2,1-4H3/p+1/t19-,20+/m1/s1