[2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-sulfanyl-ethylidene]-phenethyl-azanium

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-sulfanyl-ethylidene]-phenethyl-azanium Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-sulfanyl-ethylidene]-phenethyl-ammonium CAS Name: [2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-mercaptoethylidene]-phenethylammonium IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-sulfanylethylidene]-phenethylazanium Traditional Name: [2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-mercapto-ethylidene]-phenethyl-ammonium Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=CC(=[NH+]CCC3=CC=CC=C3)S)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCNC2=CC(=[NH+]CCC3=CC=CC=C3)S)OC

InChI

InChI=1S/C21H24N2O2S/c1-24-19-12-16-9-11-22-18(17(16)13-20(19)25-2)14-21(26)23-10-8-15-6-4-3-5-7-15/h3-7,12-14,22H,8-11H2,1-2H3,(H,23,26)/p+1