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

Systemtic Name: 3-[[4-(3-phenoxypropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[[4-(3-phenoxypropoxy)pyrimidin-2-yl]amino]-4-(trimethylammonio)butanoate CAS Name: 3-[[4-(3-phenoxypropoxy)-2-pyrimidinyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[[4-(3-phenoxypropoxy)pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[[4-(3-phenoxypropoxy)pyrimidin-2-yl]amino]-4-(trimethylammonio)butyrate Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCCOC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCCOC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O4/c1-24(2,3)15-16(14-19(25)26)22-20-21-11-10-18(23-20)28-13-7-12-27-17-8-5-4-6-9-17/h4-6,8-11,16H,7,12-15H2,1-3H3,(H-,21,22,23,25,26)