2-(4-bromanyl-3,5-dimethyl-phenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide dihydrochloride

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-phenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide dihydrochloride Openeye Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide dihydrochloride CAS Name: 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide dihydrochloride IUPAC Name: 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide dihydrochloride Traditional Name: 2-(4-bromo-3,5-dimethyl-phenoxy)-N-[3-(4-methylpiperazino)propyl]acetamide dihydrochloride Formula: C18H30BrCl2N3O2 MolecularWeight: 471.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC(=O)NCCCN2CCN(CC2)C.Cl.Cl

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC(=O)NCCCN2CCN(CC2)C.Cl.Cl

InChI

InChI=1S/C18H28BrN3O2.2ClH/c1-14-11-16(12-15(2)18(14)19)24-13-17(23)20-5-4-6-22-9-7-21(3)8-10-22;;/h11-12H,4-10,13H2,1-3H3,(H,20,23);2*1H