(2S,4R)-1-(cyclohexylmethyl)-N,N-dimethyl-4-(1-methylimidazol-2-yl)sulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-(cyclohexylmethyl)-N,N-dimethyl-4-(1-methylimidazol-2-yl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-(cyclohexylmethyl)-N,N-dimethyl-4-(1-methylimidazol-2-yl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-(cyclohexylmethyl)-N,N-dimethyl-4-[(1-methyl-2-imidazolyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-(cyclohexylmethyl)-N,N-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(cyclohexylmethyl)-N,N-dimethyl-4-[(1-methylimidazol-2-yl)thio]pyrrolidin-1-ium-2-carboxamide Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2CC([NH+](C2)CC3CCCCC3)C(=O)N(C)C

Isomeric SMILES

CN1C=CN=C1S[C@@H]2C[C@H]([NH+](C2)CC3CCCCC3)C(=O)N(C)C

InChI

InChI=1S/C18H30N4OS/c1-20(2)17(23)16-11-15(24-18-19-9-10-21(18)3)13-22(16)12-14-7-5-4-6-8-14/h9-10,14-16H,4-8,11-13H2,1-3H3/p+1/t15-,16+/m1/s1