(2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(4-methoxyphenyl)thio]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(4-methoxy-3-methyl-benzyl)-4-[(4-methoxyphenyl)thio]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CC(CC2C(=O)N(C)C)SC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)N(C)C)SC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-16-12-17(6-11-22(16)28-5)14-25-15-20(13-21(25)23(26)24(2)3)29-19-9-7-18(27-4)8-10-19/h6-12,20-21H,13-15H2,1-5H3/p+1/t20-,21+/m1/s1