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

Systemtic Name: (4R)-5,8-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (4R)-4-hydroxy-5,8-dimethoxy-N-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (4R)-4-hydroxy-5,8-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-23-15-3-4-16(24-2)17-13(15)11-21(12-14(17)22)18(26)19-5-6-20-7-9-25-10-8-20/h3-4,14,22H,5-12H2,1-2H3,(H,19,26)/p+1/t14-/m0/s1