dimethyl-[2-[oxidanyl(phenyl)methyl]dodecyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[2-[oxidanyl(phenyl)methyl]dodecyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[hydroxy(phenyl)methyl]dodecyl]-dimethyl-ammonium CAS Name: 2-[hydroxy(phenyl)methyl]dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[hydroxy(phenyl)methyl]dodecyl]-dimethylazanium Traditional Name: benzyl-[2-[hydroxy(phenyl)methyl]dodecyl]-dimethyl-ammonium Formula: C28H44NO+ MolecularWeight: 410.65506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44NO/c1-4-5-6-7-8-9-10-15-22-27(28(30)26-20-16-12-17-21-26)24-29(2,3)23-25-18-13-11-14-19-25/h11-14,16-21,27-28,30H,4-10,15,22-24H2,1-3H3/q+1