(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(4S)-1,3-thiazolidin-3-ium-4-yl]methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(4S)-1,3-thiazolidin-3-ium-4-yl]methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(4S)-thiazolidin-3-ium-4-yl]methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(4S)-4-thiazolidin-3-iumyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(4S)-1,3-thiazolidin-3-ium-4-yl]methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(4S)-thiazolidin-3-ium-4-yl]methanone Formula: C15H21N2O3S+ MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3CSC[NH2+]3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3CSC[NH2+]3)OC

InChI

InChI=1S/C15H20N2O3S/c1-19-13-5-10-3-4-17(7-11(10)6-14(13)20-2)15(18)12-8-21-9-16-12/h5-6,12,16H,3-4,7-9H2,1-2H3/p+1/t12-/m1/s1