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

Systemtic Name: methyl-[[3-(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[[3-[4-oxo-6-(3-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[[3-[4-oxo-6-(3-pyridinyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[[3-(4-oxo-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [3-[4-keto-6-(3-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-(2-thenyl)ammonium Formula: C22H21N4OS+ MolecularWeight: 389.49334

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H20N4OS/c1-26(15-19-8-4-10-28-19)14-16-5-2-6-17(11-16)22-24-20(12-21(27)25-22)18-7-3-9-23-13-18/h2-13H,14-15H2,1H3,(H,24,25,27)/p+1