6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-7-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-7-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-7-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H16N3O3S2+ MolecularWeight: 362.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C16H15N3O3S2/c1-11-14(15(20)19-8-9-23-16(19)17-11)24(21,22)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3/p+1