3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-phenyl-isoxazole Formula: C25H25N2O3S+ MolecularWeight: 433.5426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=NOC(=C3)C4=CC=CC=C4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=NOC(=C3)C4=CC=CC=C4)C5=CC=CS5)OC

InChI

InChI=1S/C25H24N2O3S/c1-28-22-13-18-10-11-27(16-19-14-21(30-26-19)17-7-4-3-5-8-17)25(24-9-6-12-31-24)20(18)15-23(22)29-2/h3-9,12-15,25H,10-11,16H2,1-2H3/p+1/t25-/m0/s1