3-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]isoxazole IUPAC Name: 3-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-[[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]isoxazole Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCC[NH+](C3)CC4=NOC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCC[NH+](C3)CC4=NOC=C4)OC

InChI

InChI=1S/C20H27N3O3/c1-24-19-10-15-5-8-23(12-16(15)11-20(19)25-2)18-4-3-7-22(14-18)13-17-6-9-26-21-17/h6,9-11,18H,3-5,7-8,12-14H2,1-2H3/p+1/t18-/m0/s1