2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanethioyl-(phenylmethyl)azanium

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanethioyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanethioyl]ammonium CAS Name: [2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-sulfanylideneethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanethioyl]azanium Traditional Name: benzyl-[2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)thioacetyl]ammonium Formula: C20H23N2O2S+ MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=CC(=S)[NH2+]CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCNC2=CC(=S)[NH2+]CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N2O2S/c1-23-18-10-15-8-9-21-17(16(15)11-19(18)24-2)12-20(25)22-13-14-6-4-3-5-7-14/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,25)/p+1