2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C19H18N3O2S+ MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC[NH+]1CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4)SC=C2

Isomeric SMILES

C[C@H]1C2=C(CC[NH+]1CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4)SC=C2

InChI

InChI=1S/C19H17N3O2S/c1-11-12-7-9-25-15(12)6-8-22(11)10-16-20-17-13-4-2-3-5-14(13)24-18(17)19(23)21-16/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21,23)/p+1/t11-/m0/s1