2-[dodecanoyl(methyl)amino]ethyl-[(4-methoxyphenyl)methyl]-dimethyl-azanium hydrochloride

Systemtic Name: 2-[dodecanoyl(methyl)amino]ethyl-[(4-methoxyphenyl)methyl]-dimethyl-azanium hydrochloride Openeye Name: 2-[dodecanoyl(methyl)amino]ethyl-[(4-methoxyphenyl)methyl]-dimethyl-ammonium hydrochloride CAS Name: (4-methoxyphenyl)methyl-dimethyl-[2-[methyl(1-oxododecyl)amino]ethyl]ammonium hydrochloride IUPAC Name: 2-[dodecanoyl(methyl)amino]ethyl-[(4-methoxyphenyl)methyl]-dimethylazanium hydrochloride Traditional Name: 2-[lauroyl(methyl)amino]ethyl-dimethyl-p-anisyl-ammonium hydrochloride Formula: C25H46ClN2O2+ MolecularWeight: 442.09794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC1=CC=C(C=C1)OC.Cl

Isomeric SMILES

CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC1=CC=C(C=C1)OC.Cl

InChI

InChI=1S/C25H45N2O2.ClH/c1-6-7-8-9-10-11-12-13-14-15-25(28)26(2)20-21-27(3,4)22-23-16-18-24(29-5)19-17-23;/h16-19H,6-15,20-22H2,1-5H3;1H/q+1;