3-[(4-phenethyloxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[(4-phenethyloxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[(4-phenethyloxypyrimidin-2-yl)amino]-4-(trimethylammonio)butanoate CAS Name: 3-[(4-phenethyloxy-2-pyrimidinyl)amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[(4-phenethyloxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[(4-phenethyloxypyrimidin-2-yl)amino]-4-(trimethylammonio)butyrate Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H26N4O3/c1-23(2,3)14-16(13-18(24)25)21-19-20-11-9-17(22-19)26-12-10-15-7-5-4-6-8-15/h4-9,11,16H,10,12-14H2,1-3H3,(H-,20,21,22,24,25)