(3R)-3-[7-(4-phenylphenoxy)heptylcarbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[7-(4-phenylphenoxy)heptylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[7-(4-phenylphenoxy)heptylcarbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[oxo-[7-(4-phenylphenoxy)heptylamino]methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[7-(4-phenylphenoxy)heptylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[7-(4-phenylphenoxy)heptylcarbamoylamino]-4-(trimethylammonio)butyrate Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)NCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)NCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H39N3O4/c1-30(2,3)21-24(20-26(31)32)29-27(33)28-18-10-5-4-6-11-19-34-25-16-14-23(15-17-25)22-12-8-7-9-13-22/h7-9,12-17,24H,4-6,10-11,18-21H2,1-3H3,(H2-,28,29,31,32,33)/t24-/m1/s1