2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5,6-dimethyl-1-benzimidazolyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H25N3O2/c1-14-7-18-19(8-15(14)2)24(12-22-18)13-23-6-5-16-9-20(25-3)21(26-4)10-17(16)11-23/h7-10,12H,5-6,11,13H2,1-4H3/p+1