dimethyl-[2-[oxidanyl(phenyl)methyl]dodecyl]-[(E)-3-phenylprop-2-enyl]azanium

Systemtic Name: dimethyl-[2-[oxidanyl(phenyl)methyl]dodecyl]-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [(E)-cinnamyl]-[2-[hydroxy(phenyl)methyl]dodecyl]-dimethyl-ammonium CAS Name: 2-[hydroxy(phenyl)methyl]dodecyl-dimethyl-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: 2-[hydroxy(phenyl)methyl]dodecyl-dimethyl-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [(E)-cinnamyl]-[2-[hydroxy(phenyl)methyl]dodecyl]-dimethyl-ammonium Formula: C30H46NO+ MolecularWeight: 436.69234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](C)(C)CC=CC1=CC=CC=C1)C(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCC(C[N+](C)(C)C/C=C/C1=CC=CC=C1)C(C2=CC=CC=C2)O

InChI

InChI=1S/C30H46NO/c1-4-5-6-7-8-9-10-15-24-29(30(32)28-22-16-12-17-23-28)26-31(2,3)25-18-21-27-19-13-11-14-20-27/h11-14,16-23,29-30,32H,4-10,15,24-26H2,1-3H3/q+1/b21-18+