2,7-bis(dimethylaminomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride

Systemtic Name: 2,7-bis(dimethylaminomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Openeye Name: 2,7-bis(dimethylaminomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride CAS Name: 2,7-bis(dimethylaminomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride IUPAC Name: 2,7-bis(dimethylaminomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Traditional Name: 2,7-bis(dimethylaminomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Formula: C32H50Cl2N2O4 MolecularWeight: 597.6564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCCC)CN(C)C.Cl.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCCCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCCC)CN(C)C.Cl.Cl

InChI

InChI=1S/C32H48N2O4.2ClH/c1-7-21-37-29-17-13-25(14-18-29)31(35)27(23-33(3)4)11-9-10-12-28(24-34(5)6)32(36)26-15-19-30(20-16-26)38-22-8-2;;/h13-20,27-28H,7-12,21-24H2,1-6H3;2*1H