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

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl(2-pyridin-2-ylethyl)carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-4-[[methyl-[2-(2-pyridinyl)ethyl]amino]-oxomethyl]-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-4-[methyl(2-pyridin-2-ylethyl)carbamoyl]-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-4-[methyl-[2-(2-pyridyl)ethyl]carbamoyl]-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=CC=C2)C(=O)N(C)CCC3=CC=CC=N3)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=CC=C2)C(=O)N(C)CCC3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C23H29N3O3/c1-23(22(28)29-4)16-19(20(26(23)3)17-10-6-5-7-11-17)21(27)25(2)15-13-18-12-8-9-14-24-18/h5-12,14,19-20H,13,15-16H2,1-4H3/p+1/t19-,20-,23-/m0/s1