(4-methylphenyl)methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-azanium

Systemtic Name: (4-methylphenyl)methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-azanium Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propylammonium IUPAC Name: (4-methylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propylazanium Traditional Name: (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-(4-methylbenzyl)-propyl-ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=C(C=C1)C)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCC[NH+](CC1=CC=C(C=C1)C)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H21N3OS/c1-3-9-21(11-14-6-4-13(2)5-7-14)12-16-19-15-8-10-23-17(15)18(22)20-16/h4-8,10H,3,9,11-12H2,1-2H3,(H,19,20,22)/p+1