dimethyl-[3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC[NH+](C)C

InChI

InChI=1S/C18H21N3OS/c1-13-5-7-14(8-6-13)15-11-23-17-16(15)18(22)21(12-19-17)10-4-9-20(2)3/h5-8,11-12H,4,9-10H2,1-3H3/p+1