[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-pyridin-4-ylethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-pyridin-4-ylethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-(methoxymethyl)-1-piperidyl]-[6-[2-(4-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-(methoxymethyl)-1-piperidinyl]-[6-(2-pyridin-4-ylethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-pyridin-4-ylethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-(methoxymethyl)piperidino]-[6-[2-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-26-15-17-3-2-12-24(14-17)20(25)18-4-5-19(23-13-18)22-11-8-16-6-9-21-10-7-16/h4-7,9-10,13,17H,2-3,8,11-12,14-15H2,1H3,(H,22,23)/p+1/t17-/m0/s1