(3R)-3-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[(N-methyl-4-octylanilino)-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-(trimethylammonio)butyrate Formula: C23H39N3O3 MolecularWeight: 405.57406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(C)C(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(C)C(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C23H39N3O3/c1-6-7-8-9-10-11-12-19-13-15-21(16-14-19)25(2)23(29)24-20(17-22(27)28)18-26(3,4)5/h13-16,20H,6-12,17-18H2,1-5H3,(H-,24,27,28,29)/t20-/m1/s1