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

Systemtic Name: 3-[[4-[3-(4-methoxyphenoxy)propoxy]pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[[4-[3-(4-methoxyphenoxy)propoxy]pyrimidin-2-yl]amino]-4-(trimethylammonio)butanoate CAS Name: 3-[[4-[3-(4-methoxyphenoxy)propoxy]-2-pyrimidinyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[[4-[3-(4-methoxyphenoxy)propoxy]pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[[4-[3-(4-methoxyphenoxy)propoxy]pyrimidin-2-yl]amino]-4-(trimethylammonio)butyrate Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-25(2,3)15-16(14-20(26)27)23-21-22-11-10-19(24-21)30-13-5-12-29-18-8-6-17(28-4)7-9-18/h6-11,16H,5,12-15H2,1-4H3,(H-,22,23,24,26,27)