(2S,4R)-N,N-dimethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N,N-dimethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N,N-dimethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N,N-dimethyl-4-[(4-methyl-2-pyrimidinyl)thio]-1-[[4-(methylthio)phenyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N,N-dimethyl-4-(4-methylpyrimidin-2-yl)sulfanyl-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N,N-dimethyl-4-[(4-methylpyrimidin-2-yl)thio]-1-[4-(methylthio)benzyl]pyrrolidin-1-ium-2-carboxamide Formula: C20H27N4OS2+ MolecularWeight: 403.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2CC([NH+](C2)CC3=CC=C(C=C3)SC)C(=O)N(C)C

Isomeric SMILES

CC1=NC(=NC=C1)S[C@@H]2C[C@H]([NH+](C2)CC3=CC=C(C=C3)SC)C(=O)N(C)C

InChI

InChI=1S/C20H26N4OS2/c1-14-9-10-21-20(22-14)27-17-11-18(19(25)23(2)3)24(13-17)12-15-5-7-16(26-4)8-6-15/h5-10,17-18H,11-13H2,1-4H3/p+1/t17-,18+/m1/s1