3-[[4-(3-phenylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[[4-(3-phenylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[[4-(3-phenylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylammonio)butanoate CAS Name: 3-[[4-(3-phenylpropoxy)-2-pyrimidinyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[[4-(3-phenylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[[4-(3-phenylpropoxy)pyrimidin-2-yl]amino]-4-(trimethylammonio)butyrate Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O3/c1-24(2,3)15-17(14-19(25)26)22-20-21-12-11-18(23-20)27-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3,(H-,21,22,23,25,26)