1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C26H31N4O4S+ MolecularWeight: 495.61374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5)OC

InChI

InChI=1S/C26H30N4O4S/c1-32-22-13-18-7-8-30(15-19(18)14-23(22)33-2)25(31)17-35-26-20-5-3-4-6-21(20)27-24(28-26)16-29-9-11-34-12-10-29/h3-6,13-14H,7-12,15-17H2,1-2H3/p+1