N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-piperidin-1-ium-1-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-piperidin-1-ium-1-yl-cyclohexane-1-carboxamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-piperidin-1-ium-1-yl-cyclohexanecarboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-1-(1-piperidin-1-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-piperidin-1-ium-1-ylcyclohexane-1-carboxamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-1-piperidin-1-ium-1-yl-cyclohexanecarboxamide Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C20H32N4O/c1-23(2)18-17(10-9-13-21-18)16-22-19(25)20(11-5-3-6-12-20)24-14-7-4-8-15-24/h9-10,13H,3-8,11-12,14-16H2,1-2H3,(H,22,25)/p+2