[2-[[4-chloranyl-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium

Systemtic Name: [2-[[4-chloranyl-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium Openeye Name: [2-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-hydroxy-3-oxo-propyl]-trimethyl-ammonium CAS Name: [2-[[4-chloro-6-(2-phenoxyethoxy)-2-pyrimidinyl]amino]-3-hydroxy-3-oxopropyl]-trimethylammonium IUPAC Name: [2-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-hydroxy-3-oxopropyl]-trimethylazanium Traditional Name: [2-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-hydroxy-3-keto-propyl]-trimethyl-ammonium Formula: C18H24ClN4O4+ MolecularWeight: 395.86056

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(=O)O)NC1=NC(=CC(=N1)Cl)OCCOC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(C(=O)O)NC1=NC(=CC(=N1)Cl)OCCOC2=CC=CC=C2

InChI

InChI=1S/C18H23ClN4O4/c1-23(2,3)12-14(17(24)25)20-18-21-15(19)11-16(22-18)27-10-9-26-13-7-5-4-6-8-13/h4-8,11,14H,9-10,12H2,1-3H3,(H-,20,21,22,24,25)/p+1