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

Systemtic Name: N-butyl-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C22H38N4O+2 MolecularWeight: 374.56332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O/c1-3-4-12-23-22(27)19-8-15-26(16-9-19)21-10-13-25(14-11-21)17-20-7-5-6-18(2)24-20/h5-7,19,21H,3-4,8-17H2,1-2H3,(H,23,27)/p+2