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

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(tetrahydropyran-4-ylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-(4-oxanylmethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-(tetrahydropyran-4-ylmethylamino)pyridin-1-ium-3-carboxamide Formula: C20H34N4O2+2 MolecularWeight: 362.50956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=C[NH+]=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+2/t18-/m0/s1