dimethyl-[[2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[2-oxo-2-(2-thienylmethylamino)ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]-5-(2-pyrimidinyl)phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]-5-pyrimidin-2-ylphenyl]methyl]azanium Traditional Name: [2-[2-keto-2-(2-thenylamino)ethoxy]-5-(2-pyrimidyl)benzyl]-dimethyl-ammonium Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=NC=CC=N2)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC=CC=N2)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H22N4O2S/c1-24(2)13-16-11-15(20-21-8-4-9-22-20)6-7-18(16)26-14-19(25)23-12-17-5-3-10-27-17/h3-11H,12-14H2,1-2H3,(H,23,25)/p+1