bis(dihexylamino)methylidene-dimethyl-azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: bis(dihexylamino)methylidene-dimethyl-azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: bis(dihexylamino)methylene-dimethyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: bis(dihexylamino)methylidene-dimethylammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: bis(dihexylamino)methylidene-dimethylazanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: bis(dihexylamino)methylene-dimethyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C35H65N3O3 MolecularWeight: 575.9089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=[N+](C)C)N(CCCCCC)CCCCCC.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

CCCCCCN(CCCCCC)C(=[N+](C)C)N(CCCCCC)CCCCCC.C1=CC=C(C=C1)[C@H](C(=O)[O-])O

InChI

InChI=1S/C27H58N3.C8H8O3/c1-7-11-15-19-23-29(24-20-16-12-8-2)27(28(5)6)30(25-21-17-13-9-3)26-22-18-14-10-4;9-7(8(10)11)6-4-2-1-3-5-6/h7-26H2,1-6H3;1-5,7,9H,(H,10,11)/q+1;/p-1/t;7-/m.1/s1