6,7-dimethoxy-2-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(2-isopropylsulfanylbenzimidazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[2-(propan-2-ylthio)-1-benzimidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[2-(isopropylthio)benzimidazol-1-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H27N3O2S/c1-15(2)28-22-23-18-7-5-6-8-19(18)25(22)14-24-10-9-16-11-20(26-3)21(27-4)12-17(16)13-24/h5-8,11-12,15H,9-10,13-14H2,1-4H3/p+1