[(E)-3-chloranylprop-2-enyl]-dodecyl-dimethyl-azanium; 2-phenylphenolate

Systemtic Name: [(E)-3-chloranylprop-2-enyl]-dodecyl-dimethyl-azanium; 2-phenylphenolate Openeye Name: [(E)-3-chloroallyl]-dodecyl-dimethyl-ammonium; 2-phenylphenolate CAS Name: [(E)-3-chloroprop-2-enyl]-dodecyl-dimethylammonium; 2-phenylphenolate IUPAC Name: [(E)-3-chloroprop-2-enyl]-dodecyl-dimethylazanium; 2-phenylphenolate Traditional Name: [(E)-3-chloroallyl]-lauryl-dimethyl-ammonium; 2-phenylphenolate Formula: C29H44ClNO MolecularWeight: 458.11876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC=CCl.C1=CC=C(C=C1)C2=CC=CC=C2[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C/C=C/Cl.C1=CC=C(C=C1)C2=CC=CC=C2[O-]

InChI

InChI=1S/C17H35ClN.C12H10O/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h14-15H,4-13,16-17H2,1-3H3;1-9,13H/q+1;/p-1/b15-14+;