methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(2-methylprop-2-enylcarbamoyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(2-methylprop-2-enylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(2-methylallylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-[(2-methylprop-2-enylamino)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(2-methylprop-2-enylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(2-methylallylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NCC(=C)C)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NCC(=C)C)C(=O)OC

InChI

InChI=1S/C21H30N2O4/c1-7-21(20(25)27-6)12-17(19(24)22-13-14(2)3)18(23(21)4)15-8-10-16(26-5)11-9-15/h8-11,17-18H,2,7,12-13H2,1,3-6H3,(H,22,24)/p+1/t17-,18-,21-/m0/s1