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

Systemtic Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]pyrimidin-2-yl]amino]-4-(trimethylammonio)butanoate CAS Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]-2-pyrimidinyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]pyrimidin-2-yl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]pyrimidin-2-yl]amino]-4-(trimethylammonio)butyrate Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCCCC2=CC=C(C=C2)OC

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])NC1=NC=CC(=N1)OCCCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H32N4O4/c1-26(2,3)16-18(15-21(27)28)24-22-23-13-12-20(25-22)30-14-6-5-7-17-8-10-19(29-4)11-9-17/h8-13,18H,5-7,14-16H2,1-4H3,(H-,23,24,25,27,28)