methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: methyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1S)-1-phenylethyl]azanium Openeye Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1S)-1-phenylethyl]ammonium CAS Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(1S)-1-phenylethyl]azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(1S)-1-phenylethyl]ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+](C)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+](C)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H21N3OS/c1-15(16-9-5-3-6-10-16)25(2)13-19-23-21(26)20-18(14-27-22(20)24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,26)/p+1/t15-/m0/s1