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

Systemtic Name: 3-[(4-phenoxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[(4-phenoxypyrimidin-2-yl)amino]-4-(trimethylammonio)butanoate CAS Name: 3-[(4-phenoxy-2-pyrimidinyl)amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[(4-phenoxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[(4-phenoxypyrimidin-2-yl)amino]-4-(trimethylammonio)butyrate Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3/c1-21(2,3)12-13(11-16(22)23)19-17-18-10-9-15(20-17)24-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H-,18,19,20,22,23)