1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-[(2S)-2-oxidanylbutyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]-N-[(2S)-2-oxidanylbutyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C22H38N4O2+2 MolecularWeight: 390.56272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC(=N3)C)O

Isomeric SMILES

CC[C@@H](CNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC(=N3)C)O

InChI

InChI=1S/C22H36N4O2/c1-3-21(27)15-23-22(28)18-7-13-26(14-8-18)20-9-11-25(12-10-20)16-19-6-4-5-17(2)24-19/h4-6,18,20-21,27H,3,7-16H2,1-2H3,(H,23,28)/p+2/t21-/m0/s1