1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazole-2-thione

Systemtic Name: 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazole-2-thione Openeye Name: 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazole-2-thione CAS Name: 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-imidazolethione IUPAC Name: 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazole-2-thione Traditional Name: 1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-imidazoline-2-thione Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN(C2=S)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN(C2=S)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21N3OS/c1-24-19-8-6-18(7-9-19)23-13-12-22(20(23)25)15-21-11-10-16-4-2-3-5-17(16)14-21/h2-9,12-13H,10-11,14-15H2,1H3/p+1