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

Systemtic Name: (3-cyclohexyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone Openeye Name: (3-cyclohexyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone CAS Name: (3-cyclohexyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenylmethanone IUPAC Name: (3-cyclohexyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenylmethanone Traditional Name: (3-cyclohexyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)C4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)C4CCCCC4)C

InChI

InChI=1S/C21H26N2OS/c1-15-16(2)25-21-19(15)13-22(18-11-7-4-8-12-18)14-23(21)20(24)17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-14H2,1-2H3/p+1