methyl (2S,4S,5R)-4-[cyclohexyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-4-[cyclohexyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-[cyclohexyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[[cyclohexyl(methyl)amino]-oxomethyl]-1,2-dimethyl-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-[cyclohexyl(methyl)carbamoyl]-1,2-dimethyl-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-[cyclohexyl(methyl)carbamoyl]-1,2-dimethyl-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=CC=C2)C(=O)N(C)C3CCCCC3)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=CC=C2)C(=O)N(C)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H32N2O3/c1-22(21(26)27-4)15-18(19(24(22)3)16-11-7-5-8-12-16)20(25)23(2)17-13-9-6-10-14-17/h5,7-8,11-12,17-19H,6,9-10,13-15H2,1-4H3/p+1/t18-,19-,22-/m0/s1