[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(oxan-4-ylmethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(oxan-4-ylmethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-(methoxymethyl)-1-piperidyl]-[6-(tetrahydropyran-4-ylmethylamino)pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-(methoxymethyl)-1-piperidinyl]-[6-(4-oxanylmethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(oxan-4-ylmethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-(methoxymethyl)piperidino]-[6-(tetrahydropyran-4-ylmethylamino)pyridin-1-ium-3-yl]methanone Formula: C19H30N3O3+ MolecularWeight: 348.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCC3CCOCC3

Isomeric SMILES

COC[C@H]1CCCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCC3CCOCC3

InChI

InChI=1S/C19H29N3O3/c1-24-14-16-3-2-8-22(13-16)19(23)17-4-5-18(21-12-17)20-11-15-6-9-25-10-7-15/h4-5,12,15-16H,2-3,6-11,13-14H2,1H3,(H,20,21)/p+1/t16-/m0/s1