(2S,4R)-1-(cyclohexylmethyl)-N-methyl-4-pyridin-2-ylsulfanyl-N-(thiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-(cyclohexylmethyl)-N-methyl-4-pyridin-2-ylsulfanyl-N-(thiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-(cyclohexylmethyl)-N-methyl-4-(2-pyridylsulfanyl)-N-(3-thienylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-(cyclohexylmethyl)-N-methyl-4-(2-pyridinylthio)-N-(3-thiophenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-(cyclohexylmethyl)-N-methyl-4-pyridin-2-ylsulfanyl-N-(thiophen-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(cyclohexylmethyl)-N-methyl-4-(2-pyridylthio)-N-(3-thenyl)pyrrolidin-1-ium-2-carboxamide Formula: C23H32N3OS2+ MolecularWeight: 430.64968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C2CC(C[NH+]2CC3CCCCC3)SC4=CC=CC=N4

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)[C@@H]2C[C@H](C[NH+]2CC3CCCCC3)SC4=CC=CC=N4

InChI

InChI=1S/C23H31N3OS2/c1-25(14-19-10-12-28-17-19)23(27)21-13-20(29-22-9-5-6-11-24-22)16-26(21)15-18-7-3-2-4-8-18/h5-6,9-12,17-18,20-21H,2-4,7-8,13-16H2,1H3/p+1/t20-,21+/m1/s1