2-[[4-chloranyl-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-(trimethylazaniumyl)propanoate

Systemtic Name: 2-[[4-chloranyl-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-(trimethylazaniumyl)propanoate Openeye Name: 2-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-(trimethylammonio)propanoate CAS Name: 2-[[4-chloro-6-(2-phenoxyethoxy)-2-pyrimidinyl]amino]-3-(trimethylammonio)propanoate IUPAC Name: 2-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-(trimethylazaniumyl)propanoate Traditional Name: 2-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-3-(trimethylammonio)propionate Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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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)