[3-[6-(methoxymethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3-[6-(methoxymethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [3-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-[4-keto-6-(methoxymethyl)-1H-pyrimidin-2-yl]benzyl]-methyl-(2-thenyl)ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)COC)CC3=CC=CS3

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)COC)CC3=CC=CS3

InChI

InChI=1S/C19H21N3O2S/c1-22(12-17-7-4-8-25-17)11-14-5-3-6-15(9-14)19-20-16(13-24-2)10-18(23)21-19/h3-10H,11-13H2,1-2H3,(H,20,21,23)/p+1