3-[[4-chloranyl-6-(3-naphthalen-1-ylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[[4-chloranyl-6-(3-naphthalen-1-ylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[[4-chloro-6-[3-(1-naphthyl)propoxy]pyrimidin-2-yl]amino]-4-(trimethylammonio)butanoate CAS Name: 3-[[4-chloro-6-[3-(1-naphthalenyl)propoxy]-2-pyrimidinyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[[4-chloro-6-(3-naphthalen-1-ylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[[4-chloro-6-[3-(1-naphthyl)propoxy]pyrimidin-2-yl]amino]-4-(trimethylammonio)butyrate Formula: C24H29ClN4O3 MolecularWeight: 456.96506

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC(=CC(=N1)Cl)OCCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC(=CC(=N1)Cl)OCCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H29ClN4O3/c1-29(2,3)16-19(14-23(30)31)26-24-27-21(25)15-22(28-24)32-13-7-11-18-10-6-9-17-8-4-5-12-20(17)18/h4-6,8-10,12,15,19H,7,11,13-14,16H2,1-3H3,(H-,26,27,28,30,31)