[5,6-dimethyl-3-(phenylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [5,6-dimethyl-3-(phenylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone Openeye Name: (3-benzyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone CAS Name: [5,6-dimethyl-3-(phenylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone IUPAC Name: (3-benzyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenylmethanone Traditional Name: (3-benzyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2OS/c1-16-17(2)26-22-20(16)14-23(13-18-9-5-3-6-10-18)15-24(22)21(25)19-11-7-4-8-12-19/h3-12H,13-15H2,1-2H3/p+1