trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butyl]azanium Openeye Name: [2-[(4-benzyloxypyrimidin-2-yl)amino]-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-oxo-2-[(4-phenylmethoxy-2-pyrimidinyl)amino]butyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butyl]-trimethylazanium Traditional Name: [2-[(4-benzoxypyrimidin-2-yl)amino]-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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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)/p+1