1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione

Systemtic Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione Openeye Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione CAS Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-benzimidazolethione IUPAC Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione Traditional Name: 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione Formula: C18H20N3S+ MolecularWeight: 310.4365

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H19N3S/c1-19-16-8-4-5-9-17(16)21(18(19)22)13-20-11-10-14-6-2-3-7-15(14)12-20/h2-9H,10-13H2,1H3/p+1