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

Systemtic Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzothiazole Formula: C23H23N2O2S2+ MolecularWeight: 423.57092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

InChI

InChI=1S/C23H22N2O2S2/c1-26-18-12-15-9-10-25(14-22-24-17-6-3-4-7-20(17)29-22)23(21-8-5-11-28-21)16(15)13-19(18)27-2/h3-8,11-13,23H,9-10,14H2,1-2H3/p+1/t23-/m0/s1