1-(4-imidazol-1-ylphenyl)-4-(4-methylpiperidin-1-yl)butan-1-one hydrate dihydrochloride

Systemtic Name: 1-(4-imidazol-1-ylphenyl)-4-(4-methylpiperidin-1-yl)butan-1-one hydrate dihydrochloride Openeye Name: 1-(4-imidazol-1-ylphenyl)-4-(4-methyl-1-piperidyl)butan-1-one hydrate dihydrochloride CAS Name: 1-[4-(1-imidazolyl)phenyl]-4-(4-methyl-1-piperidinyl)-1-butanone hydrate dihydrochloride IUPAC Name: 1-(4-imidazol-1-ylphenyl)-4-(4-methylpiperidin-1-yl)butan-1-one hydrate dihydrochloride Traditional Name: 1-(4-imidazol-1-ylphenyl)-4-(4-methylpiperidino)butan-1-one hydrate dihydrochloride Formula: C19H29Cl2N3O2 MolecularWeight: 402.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)N3C=CN=C3.O.Cl.Cl

Isomeric SMILES

CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)N3C=CN=C3.O.Cl.Cl

InChI

InChI=1S/C19H25N3O.2ClH.H2O/c1-16-8-12-21(13-9-16)11-2-3-19(23)17-4-6-18(7-5-17)22-14-10-20-15-22;;;/h4-7,10,14-16H,2-3,8-9,11-13H2,1H3;2*1H;1H2