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

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-[oxo(1-piperidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-5-(4-methoxyphenyl)-1-methyl-4-(piperidine-1-carbonyl)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)N3CCCCC3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)OC)C(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H32N2O4/c1-5-22(21(26)28-4)15-18(20(25)24-13-7-6-8-14-24)19(23(22)2)16-9-11-17(27-3)12-10-16/h9-12,18-19H,5-8,13-15H2,1-4H3/p+1/t18-,19-,22-/m0/s1