(3S)-3-(10-phenoxydecylcarbamoylamino)-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3S)-3-(10-phenoxydecylcarbamoylamino)-4-(trimethylazaniumyl)butanoate Openeye Name: (3S)-3-(10-phenoxydecylcarbamoylamino)-4-(trimethylammonio)butanoate CAS Name: (3S)-3-[[oxo-(10-phenoxydecylamino)methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3S)-3-(10-phenoxydecylcarbamoylamino)-4-(trimethylazaniumyl)butanoate Traditional Name: (3S)-3-(10-phenoxydecylcarbamoylamino)-4-(trimethylammonio)butyrate Formula: C24H41N3O4 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)NCCCCCCCCCCOC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)[O-])NC(=O)NCCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C24H41N3O4/c1-27(2,3)20-21(19-23(28)29)26-24(30)25-17-13-8-6-4-5-7-9-14-18-31-22-15-11-10-12-16-22/h10-12,15-16,21H,4-9,13-14,17-20H2,1-3H3,(H2-,25,26,28,29,30)/t21-/m0/s1