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

Systemtic Name: [5,6-dimethyl-3-(3-methylbutyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone Openeye Name: (3-isopentyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone CAS Name: [5,6-dimethyl-3-(3-methylbutyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone IUPAC Name: [5,6-dimethyl-3-(3-methylbutyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone Traditional Name: (3-isoamyl-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-phenyl-methanone Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2OS/c1-14(2)10-11-21-12-18-15(3)16(4)24-20(18)22(13-21)19(23)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3/p+1