4-(4-dodecoxyphenyl)butan-2-yl-dimethyl-propyl-azanium dihydrochloride

Systemtic Name: 4-(4-dodecoxyphenyl)butan-2-yl-dimethyl-propyl-azanium dihydrochloride Openeye Name: [3-(4-dodecoxyphenyl)-1-methyl-propyl]-dimethyl-propyl-ammonium dihydrochloride CAS Name: 4-(4-dodecoxyphenyl)butan-2-yl-dimethyl-propylammonium dihydrochloride IUPAC Name: 4-(4-dodecoxyphenyl)butan-2-yl-dimethyl-propylazanium dihydrochloride Traditional Name: [3-(4-lauryloxyphenyl)-1-methyl-propyl]-dimethyl-propyl-ammonium dihydrochloride Formula: C27H52Cl2NO+ MolecularWeight: 477.61388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CCC(C)[N+](C)(C)CCC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCC(C)[N+](C)(C)CCC.Cl.Cl

InChI

InChI=1S/C27H50NO.2ClH/c1-6-8-9-10-11-12-13-14-15-16-24-29-27-21-19-26(20-22-27)18-17-25(3)28(4,5)23-7-2;;/h19-22,25H,6-18,23-24H2,1-5H3;2*1H/q+1;;