dimethyl-[(4-octylphenyl)methyl]-propyl-azanium; 2-methylprop-2-enamide; chloride

Systemtic Name: dimethyl-[(4-octylphenyl)methyl]-propyl-azanium; 2-methylprop-2-enamide; chloride Openeye Name: dimethyl-[(4-octylphenyl)methyl]-propyl-ammonium; 2-methylprop-2-enamide; chloride CAS Name: dimethyl-[(4-octylphenyl)methyl]-propylammonium; 2-methyl-2-propenamide; chloride IUPAC Name: dimethyl-[(4-octylphenyl)methyl]-propylazanium; 2-methylprop-2-enamide; chloride Traditional Name: dimethyl-(4-octylbenzyl)-propyl-ammonium; methacrylamide; chloride Formula: C24H43ClN2O MolecularWeight: 411.06402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)CCC.CC(=C)C(=O)N.[Cl-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)CCC.CC(=C)C(=O)N.[Cl-]

InChI

InChI=1S/C20H36N.C4H7NO.ClH/c1-5-7-8-9-10-11-12-19-13-15-20(16-14-19)18-21(3,4)17-6-2;1-3(2)4(5)6;/h13-16H,5-12,17-18H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1