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

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione CAS Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Traditional Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazole-2-thione Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C17H16N2OS/c21-17-19(15-7-3-4-8-16(15)20-17)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-8H,9-12H2/p+1