2-[(5-bromanylthiophen-2-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5-bromo-2-thienyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5-bromo-2-thiophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(5-bromo-2-thienyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H19BrNO2S+ MolecularWeight: 369.29656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(S3)Br)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(S3)Br)OC

InChI

InChI=1S/C16H18BrNO2S/c1-19-14-7-11-5-6-18(9-12(11)8-15(14)20-2)10-13-3-4-16(17)21-13/h3-4,7-8H,5-6,9-10H2,1-2H3/p+1