N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(tetrahydropyran-4-ylmethylamino)pyridine-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(4-oxanylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(tetrahydropyran-4-ylmethylamino)nicotinamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=CN=C(C=C2)NCC3CCOCC3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=CN=C(C=C2)NCC3CCOCC3

InChI

InChI=1S/C20H32N4O2/c1-24-11-3-2-4-18(24)7-10-21-20(25)17-5-6-19(23-15-17)22-14-16-8-12-26-13-9-16/h5-6,15-16,18H,2-4,7-14H2,1H3,(H,21,25)(H,22,23)/p+1/t18-/m0/s1