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

Systemtic Name: 3-[(4-phenylmethoxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[(4-benzyloxypyrimidin-2-yl)amino]-4-(trimethylammonio)butanoate CAS Name: 3-[(4-phenylmethoxy-2-pyrimidinyl)amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[(4-phenylmethoxypyrimidin-2-yl)amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[(4-benzoxypyrimidin-2-yl)amino]-4-(trimethylammonio)butyrate Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O3/c1-22(2,3)12-15(11-17(23)24)20-18-19-10-9-16(21-18)25-13-14-7-5-4-6-8-14/h4-10,15H,11-13H2,1-3H3,(H-,19,20,21,23,24)