2-(3,4-dimethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-thiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiazole Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C21H22N2O2S/c1-24-19-8-7-16(11-20(19)25-2)21-22-18(14-26-21)13-23-10-9-15-5-3-4-6-17(15)12-23/h3-8,11,14H,9-10,12-13H2,1-2H3/p+1