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

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(4-phenoxypyrimidin-2-yl)amino]butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-[(4-phenoxypyrimidin-2-yl)amino]butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-oxo-2-[(4-phenoxy-2-pyrimidinyl)amino]butyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[(4-phenoxypyrimidin-2-yl)amino]butyl]-trimethylazanium Traditional Name: [4-hydroxy-4-keto-2-[(4-phenoxypyrimidin-2-yl)amino]butyl]-trimethyl-ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

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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)/p+1