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

Systemtic Name: methyl (2S,4S,5R)-4-(cyclopentylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(cyclopentylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[(cyclopentylamino)-oxomethyl]-2-ethyl-5-(4-methoxyphenyl)-1-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(cyclopentylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-(cyclopentylcarbamoyl)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NC3CCCC3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)OC)C(=O)NC3CCCC3)C(=O)OC

InChI

InChI=1S/C22H32N2O4/c1-5-22(21(26)28-4)14-18(20(25)23-16-8-6-7-9-16)19(24(22)2)15-10-12-17(27-3)13-11-15/h10-13,16,18-19H,5-9,14H2,1-4H3,(H,23,25)/p+1/t18-,19-,22-/m0/s1