(2S,4R)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-[(4-isopropylphenyl)methyl]-N-(isoxazol-3-ylmethyl)-N-methyl-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(3-isoxazolylmethyl)-N-methyl-1-[(4-propan-2-ylphenyl)methyl]-4-(2-pyridinylthio)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-(4-isopropylbenzyl)-N-(isoxazol-3-ylmethyl)-N-methyl-4-(2-pyridylthio)pyrrolidin-1-ium-2-carboxamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)N(C)CC3=NOC=C3)SC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)N(C)CC3=NOC=C3)SC4=CC=CC=N4

InChI

InChI=1S/C25H30N4O2S/c1-18(2)20-9-7-19(8-10-20)15-29-17-22(32-24-6-4-5-12-26-24)14-23(29)25(30)28(3)16-21-11-13-31-27-21/h4-13,18,22-23H,14-17H2,1-3H3/p+1/t22-,23+/m1/s1