6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-(3-thienylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-(3-thiophenylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(3-thenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H20NO2S+ MolecularWeight: 290.4005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CSC=C3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CSC=C3)OC

InChI

InChI=1S/C16H19NO2S/c1-18-15-7-13-3-5-17(9-12-4-6-20-11-12)10-14(13)8-16(15)19-2/h4,6-8,11H,3,5,9-10H2,1-2H3/p+1