N-[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]methanesulfonamide

Systemtic Name: N-[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC(CC3)NS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC(CC3)NS(=O)(=O)C)OC

InChI

InChI=1S/C19H29N3O5S/c1-26-17-10-14-4-9-22(12-15(14)11-18(17)27-2)19(23)13-21-7-5-16(6-8-21)20-28(3,24)25/h10-11,16,20H,4-9,12-13H2,1-3H3/p+1