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

Systemtic Name: (5,6-dimethyl-3-prop-2-enyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone Openeye Name: (3-allyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone CAS Name: (5,6-dimethyl-3-prop-2-enyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenylmethanone IUPAC Name: (5,6-dimethyl-3-prop-2-enyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenylmethanone Traditional Name: (3-allyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2OS/c1-4-10-19-11-16-13(2)14(3)22-18(16)20(12-19)17(21)15-8-6-5-7-9-15/h4-9H,1,10-12H2,2-3H3/p+1