2,5-bis(dimethylaminomethyl)-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione hydrochloride

Systemtic Name: 2,5-bis(dimethylaminomethyl)-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione hydrochloride Openeye Name: 2,5-bis(dimethylaminomethyl)-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione hydrochloride CAS Name: 2,5-bis(dimethylaminomethyl)-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione hydrochloride IUPAC Name: 2,5-bis(dimethylaminomethyl)-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione hydrochloride Traditional Name: 2,5-bis(dimethylaminomethyl)-1,6-bis(p-phenetyl)hexane-1,6-dione hydrochloride Formula: C28H41ClN2O4 MolecularWeight: 505.08914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(CCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCC)CN(C)C.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(CCC(CN(C)C)C(=O)C2=CC=C(C=C2)OCC)CN(C)C.Cl

InChI

InChI=1S/C28H40N2O4.ClH/c1-7-33-25-15-11-21(12-16-25)27(31)23(19-29(3)4)9-10-24(20-30(5)6)28(32)22-13-17-26(18-14-22)34-8-2;/h11-18,23-24H,7-10,19-20H2,1-6H3;1H