3-[dodecanoyl(methyl)amino]propyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 3-[dodecanoyl(methyl)amino]propyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[dodecanoyl(methyl)amino]propyl]-dimethyl-ammonium CAS Name: dimethyl-[3-[methyl(1-oxododecyl)amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[dodecanoyl(methyl)amino]propyl]-dimethylazanium Traditional Name: benzyl-[3-[lauroyl(methyl)amino]propyl]-dimethyl-ammonium Formula: C25H45N2O+ MolecularWeight: 389.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C25H45N2O/c1-5-6-7-8-9-10-11-12-16-20-25(28)26(2)21-17-22-27(3,4)23-24-18-14-13-15-19-24/h13-15,18-19H,5-12,16-17,20-23H2,1-4H3/q+1