(4R)-5,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: (4R)-5,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-4-hydroxy-5,8-dimethoxy-N-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O4S/c1-24-16-4-5-17(25-2)18-14(16)12-22(13-15(18)23)19(27)20-6-3-7-21-8-10-26-11-9-21/h4-5,15,23H,3,6-13H2,1-2H3,(H,20,27)/p+1/t15-/m0/s1