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

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-piperidin-1-ylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-[oxo(1-piperidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(piperidine-1-carbonyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H30FN2O3+ MolecularWeight: 377.472903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)F)C(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN2O3/c1-4-21(20(26)27-3)14-17(19(25)24-12-6-5-7-13-24)18(23(21)2)15-8-10-16(22)11-9-15/h8-11,17-18H,4-7,12-14H2,1-3H3/p+1/t17-,18-,21-/m0/s1