(3R)-3-(12-phenyldodecanoylamino)-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-(12-phenyldodecanoylamino)-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-(12-phenyldodecanoylamino)-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[(1-oxo-12-phenyldodecyl)amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-(12-phenyldodecanoylamino)-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-(12-phenyldodecanoylamino)-4-(trimethylammonio)butyrate Formula: C25H42N2O3 MolecularWeight: 418.61258

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)CCCCCCCCCCCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)CCCCCCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C25H42N2O3/c1-27(2,3)21-23(20-25(29)30)26-24(28)19-15-10-8-6-4-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,23H,4-10,12,15-16,19-21H2,1-3H3,(H-,26,28,29,30)/t23-/m1/s1