[(1R)-6,7-dimethoxy-2-(propylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium

Systemtic Name: [(1R)-6,7-dimethoxy-2-(propylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Openeye Name: [(1R)-6,7-dimethoxy-2-(propylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium CAS Name: [(1R)-6,7-dimethoxy-2-[propylamino(sulfanylidene)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium IUPAC Name: [(1R)-6,7-dimethoxy-2-(propylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Traditional Name: [(1R)-6,7-dimethoxy-2-(propylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCC2=CC(=C(C=C2C1C[NH3+])OC)OC

Isomeric SMILES

CCCNC(=S)N1CCC2=CC(=C(C=C2[C@@H]1C[NH3+])OC)OC

InChI

InChI=1S/C16H25N3O2S/c1-4-6-18-16(22)19-7-5-11-8-14(20-2)15(21-3)9-12(11)13(19)10-17/h8-9,13H,4-7,10,17H2,1-3H3,(H,18,22)/p+1/t13-/m0/s1