2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-pyridin-4-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-pyridin-4-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[1-tert-butoxycarbonyl-4-[[4-(4-pyridyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[oxo-(4-pyridin-4-ylanilino)methyl]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-pyridin-4-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-tert-butoxycarbonyl-4-[[4-(4-pyridyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]acetate Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=CC=NC=C3)CC(=O)[O-]

InChI

InChI=1S/C24H29N3O5/c1-24(2,3)32-23(31)27(16-21(28)29)14-10-19(11-15-27)22(30)26-20-6-4-17(5-7-20)18-8-12-25-13-9-18/h4-9,12-13,19H,10-11,14-16H2,1-3H3,(H-,25,26,28,29,30)