1-cyclopentyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5-dimethyl-imidazole-2-thione

Systemtic Name: 1-cyclopentyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5-dimethyl-imidazole-2-thione Openeye Name: 1-cyclopentyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5-dimethyl-imidazole-2-thione CAS Name: 1-cyclopentyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5-dimethyl-2-imidazolethione IUPAC Name: 1-cyclopentyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5-dimethylimidazole-2-thione Traditional Name: 1-cyclopentyl-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5-dimethyl-4-imidazoline-2-thione Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C4CCCC4)C

InChI

InChI=1S/C22H31N3O2S/c1-15-16(2)25(19-7-5-6-8-19)22(28)24(15)14-23-10-9-17-11-20(26-3)21(27-4)12-18(17)13-23/h11-12,19H,5-10,13-14H2,1-4H3/p+1