[1,3-bis(oxidanylidene)-1-phenyl-3-phenylazanyl-propan-2-yl]sulfonyl-hexadecoxy-dimethyl-azanium

Systemtic Name: [1,3-bis(oxidanylidene)-1-phenyl-3-phenylazanyl-propan-2-yl]sulfonyl-hexadecoxy-dimethyl-azanium Openeye Name: (2-anilino-1-benzoyl-2-oxo-ethyl)sulfonyl-hexadecoxy-dimethyl-ammonium CAS Name: (1-anilino-1,3-dioxo-3-phenylpropan-2-yl)sulfonyl-hexadecoxy-dimethylammonium IUPAC Name: (1-anilino-1,3-dioxo-3-phenylpropan-2-yl)sulfonyl-hexadecoxy-dimethylazanium Traditional Name: (2-anilino-1-benzoyl-2-keto-ethyl)sulfonyl-cetyloxy-dimethyl-ammonium Formula: C33H51N2O5S+ MolecularWeight: 587.83344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCO[N+](C)(C)S(=O)(=O)C(C(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCO[N+](C)(C)S(=O)(=O)C(C(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C33H50N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-40-35(2,3)41(38,39)32(31(36)29-24-19-17-20-25-29)33(37)34-30-26-21-18-22-27-30/h17-22,24-27,32H,4-16,23,28H2,1-3H3/p+1