3-(1,4-diazepan-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one hydrate dihydrochloride

Systemtic Name: 3-(1,4-diazepan-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one hydrate dihydrochloride Openeye Name: 3-(1,4-diazepan-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one hydrate dihydrochloride CAS Name: 3-(1,4-diazepan-1-yl)-5,5-dimethyl-1-cyclohex-2-enone hydrate dihydrochloride IUPAC Name: 3-(1,4-diazepan-1-yl)-5,5-dimethylcyclohex-2-en-1-one hydrate dihydrochloride Traditional Name: 3-(1,4-diazepan-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one hydrate dihydrochloride Formula: C13H26Cl2N2O2 MolecularWeight: 313.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N2CCCNCC2)C.O.Cl.Cl

Isomeric SMILES

CC1(CC(=CC(=O)C1)N2CCCNCC2)C.O.Cl.Cl

InChI

InChI=1S/C13H22N2O.2ClH.H2O/c1-13(2)9-11(8-12(16)10-13)15-6-3-4-14-5-7-15;;;/h8,14H,3-7,9-10H2,1-2H3;2*1H;1H2