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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C17H17N3OS/c1-12-11-22-17-18-15(8-16(21)20(12)17)10-19-7-6-13-4-2-3-5-14(13)9-19/h2-5,8,11H,6-7,9-10H2,1H3/p+1