3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-thiophen-2-yl-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-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-5-(2-thienyl)isoxazole Formula: C23H23N2O3S2+ MolecularWeight: 439.57032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=NOC(=C3)C4=CC=CS4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=NOC(=C3)C4=CC=CS4)C5=CC=CS5)OC

InChI

InChI=1S/C23H22N2O3S2/c1-26-18-11-15-7-8-25(14-16-12-20(28-24-16)21-5-3-9-29-21)23(22-6-4-10-30-22)17(15)13-19(18)27-2/h3-6,9-13,23H,7-8,14H2,1-2H3/p+1/t23-/m0/s1