[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-pyridin-3-ylethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-pyridin-3-ylethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-(methoxymethyl)-1-piperidyl]-[6-[2-(3-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-(methoxymethyl)-1-piperidinyl]-[6-[2-(3-pyridinyl)ethylamino]-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-pyridin-3-ylethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-(methoxymethyl)piperidino]-[6-[2-(3-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCCC3=CN=CC=C3

Isomeric SMILES

COC[C@H]1CCCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCCC3=CN=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-26-15-17-5-3-11-24(14-17)20(25)18-6-7-19(23-13-18)22-10-8-16-4-2-9-21-12-16/h2,4,6-7,9,12-13,17H,3,5,8,10-11,14-15H2,1H3,(H,22,23)/p+1/t17-/m0/s1