2-(5-bromanyl-2-methoxy-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-thiazole

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-thiazole Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiazole CAS Name: 2-(5-bromo-2-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiazole IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-thiazole Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)thiazole Formula: C20H20BrN2OS+ MolecularWeight: 416.3546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2OS/c1-24-19-7-6-16(21)10-18(19)20-22-17(13-25-20)12-23-9-8-14-4-2-3-5-15(14)11-23/h2-7,10,13H,8-9,11-12H2,1H3/p+1