2-[1-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide hydrate dihydrochloride

Systemtic Name: 2-[1-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide hydrate dihydrochloride Openeye Name: 2-[1-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]acetamide hydrate dihydrochloride CAS Name: 2-[1-(2,6-dimethylphenyl)-1-piperazin-1-iumyl]acetamide hydrate dihydrochloride IUPAC Name: 2-[1-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]acetamide hydrate dihydrochloride Traditional Name: 2-[1-(2,6-dimethylphenyl)piperazin-1-ium-1-yl]acetamide hydrate dihydrochloride Formula: C14H26Cl2N3O2+ MolecularWeight: 339.28114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2(CCNCC2)CC(=O)N.O.Cl.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2(CCNCC2)CC(=O)N.O.Cl.Cl

InChI

InChI=1S/C14H21N3O.2ClH.H2O/c1-11-4-3-5-12(2)14(11)17(10-13(15)18)8-6-16-7-9-17;;;/h3-5,16H,6-10H2,1-2H3,(H-,15,18);2*1H;1H2/p+1