N',N'-dimethyl-N-[4-(4-undecoxyphenyl)butan-2-yl]ethane-1,2-diamine dihydrochloride

Systemtic Name: N',N'-dimethyl-N-[4-(4-undecoxyphenyl)butan-2-yl]ethane-1,2-diamine dihydrochloride Openeye Name: N',N'-dimethyl-N-[1-methyl-3-(4-undecoxyphenyl)propyl]ethane-1,2-diamine dihydrochloride CAS Name: N',N'-dimethyl-N-[4-(4-undecoxyphenyl)butan-2-yl]ethane-1,2-diamine dihydrochloride IUPAC Name: N',N'-dimethyl-N-[4-(4-undecoxyphenyl)butan-2-yl]ethane-1,2-diamine dihydrochloride Traditional Name: dimethyl-[2-[[1-methyl-3-(4-undecoxyphenyl)propyl]amino]ethyl]amine dihydrochloride Formula: C25H48Cl2N2O MolecularWeight: 463.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(C)NCCN(C)C.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(C)NCCN(C)C.Cl.Cl

InChI

InChI=1S/C25H46N2O.2ClH/c1-5-6-7-8-9-10-11-12-13-22-28-25-18-16-24(17-19-25)15-14-23(2)26-20-21-27(3)4;;/h16-19,23,26H,5-15,20-22H2,1-4H3;2*1H