1-[(2-methylpropan-2-yl)oxycarbonyl]-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-tert-butoxycarbonyl-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-propyl-3-(3-pyridinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-1-propyl-3-pyridin-3-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-tert-butoxycarbonyl-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-5-10-20(17(23)24-18(2,3)4)11-8-14(15(20)16(21)22)13-7-6-9-19-12-13/h6-7,9,12,14-15H,5,8,10-11H2,1-4H3