(2S)-1-(2-methylbutylcarbamoyl)-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-(2-methylbutylcarbamoyl)-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-(2-methylbutylcarbamoyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2-methylbutylamino)-oxomethyl]-1-propyl-3-(3-pyridinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-(2-methylbutylcarbamoyl)-1-propyl-3-pyridin-3-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-methylbutylcarbamoyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylate Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)[O-])C2=CN=CC=C2)C(=O)NCC(C)CC

Isomeric SMILES

CCC[N+]1(CCC([C@H]1C(=O)[O-])C2=CN=CC=C2)C(=O)NCC(C)CC

InChI

InChI=1S/C19H29N3O3/c1-4-10-22(19(25)21-12-14(3)5-2)11-8-16(17(22)18(23)24)15-7-6-9-20-13-15/h6-7,9,13-14,16-17H,4-5,8,10-12H2,1-3H3,(H-,21,23,24,25)/t14?,16?,17-,22?/m0/s1