(3R)-3-(8-phenyloctanoylamino)-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-(8-phenyloctanoylamino)-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-(8-phenyloctanoylamino)-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[(1-oxo-8-phenyloctyl)amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-(8-phenyloctanoylamino)-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-(8-phenyloctanoylamino)-4-(trimethylammonio)butyrate Formula: C21H34N2O3 MolecularWeight: 362.50626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)CCCCCCCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)CCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C21H34N2O3/c1-23(2,3)17-19(16-21(25)26)22-20(24)15-11-6-4-5-8-12-18-13-9-7-10-14-18/h7,9-10,13-14,19H,4-6,8,11-12,15-17H2,1-3H3,(H-,22,24,25,26)/t19-/m1/s1