2-[2-(2,3-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-(2,3-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-(2,3-dimethyl-1-oxido-pyridin-1-ium-4-yl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-[(2,3-dimethyl-1-oxido-4-pyridin-1-iumyl)thio]ethyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-(2,3-dimethyl-1-oxidopyridin-1-ium-4-yl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-[(2,3-dimethyl-1-oxido-pyridin-1-ium-4-yl)thio]ethyl]-3,4-dihydro-1H-isoquinoline Formula: C18H22N2OS MolecularWeight: 314.44508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1C)[O-])SCCN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C[N+](=C1C)[O-])SCCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H22N2OS/c1-14-15(2)20(21)10-8-18(14)22-12-11-19-9-7-16-5-3-4-6-17(16)13-19/h3-6,8,10H,7,9,11-13H2,1-2H3