6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NCCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NCCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C19H29N3O3S/c1-23-17-12-15-4-7-22(14-16(15)13-18(17)24-2)19(26)20-5-3-6-21-8-10-25-11-9-21/h12-13H,3-11,14H2,1-2H3,(H,20,26)/p+1