N-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide

Systemtic Name: N-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-16(27)26(20-7-5-4-6-8-20)23-24-19(15-30-23)14-25-10-9-17-11-21(28-2)22(29-3)12-18(17)13-25/h4-8,11-12,15H,9-10,13-14H2,1-3H3/p+1