trimethyl-[(2R)-2-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2R)-4-hydroxy-2-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-2-[[(N-methyl-4-octylanilino)-oxomethyl]amino]-4-oxobutyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-2-[[methyl-(4-octylphenyl)carbamoyl]amino]-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[methyl-(4-octylphenyl)carbamoyl]amino]butyl]-trimethyl-ammonium Formula: C23H40N3O3+ MolecularWeight: 406.582

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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)/p+1/t20-/m1/s1