methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl(pyridin-3-ylmethyl)carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl(pyridin-3-ylmethyl)carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl(3-pyridylmethyl)carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-4-[[methyl(3-pyridinylmethyl)amino]-oxomethyl]-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl(pyridin-3-ylmethyl)carbamoyl]-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-4-[methyl(3-pyridylmethyl)carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=CC=C2)C(=O)N(C)CC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=CC=C2)C(=O)N(C)CC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-22(21(27)28-4)13-18(19(25(22)3)17-10-6-5-7-11-17)20(26)24(2)15-16-9-8-12-23-14-16/h5-12,14,18-19H,13,15H2,1-4H3/p+1/t18-,19-,22-/m0/s1