(2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-[(2-methyl-1H-indol-3-yl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-[(2-methyl-1H-indol-3-yl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-isopropyl-4-(4-methoxyphenyl)sulfanyl-1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(4-methoxyphenyl)thio]-1-[(2-methyl-1H-indol-3-yl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-[(2-methyl-1H-indol-3-yl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-isopropyl-4-[(4-methoxyphenyl)thio]-1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CC(CC3C(=O)NC(C)C)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3C[C@@H](C[C@H]3C(=O)NC(C)C)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O2S/c1-16(2)26-25(29)24-13-20(31-19-11-9-18(30-4)10-12-19)14-28(24)15-22-17(3)27-23-8-6-5-7-21(22)23/h5-12,16,20,24,27H,13-15H2,1-4H3,(H,26,29)/p+1/t20-,24+/m1/s1