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

Systemtic Name: N-[4-(4-heptoxyphenyl)butan-2-yl]-N',N'-dimethyl-ethane-1,2-diamine dihydrochloride Openeye Name: N-[3-(4-heptoxyphenyl)-1-methyl-propyl]-N',N'-dimethyl-ethane-1,2-diamine dihydrochloride CAS Name: N-[4-(4-heptoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine dihydrochloride IUPAC Name: N-[4-(4-heptoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine dihydrochloride Traditional Name: 2-[[3-(4-heptoxyphenyl)-1-methyl-propyl]amino]ethyl-dimethyl-amine dihydrochloride Formula: C21H40Cl2N2O MolecularWeight: 407.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(C)NCCN(C)C.Cl.Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(C)NCCN(C)C.Cl.Cl

InChI

InChI=1S/C21H38N2O.2ClH/c1-5-6-7-8-9-18-24-21-14-12-20(13-15-21)11-10-19(2)22-16-17-23(3)4;;/h12-15,19,22H,5-11,16-18H2,1-4H3;2*1H