1-[2,6-dimethyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one hydrate dihydrochloride

Systemtic Name: 1-[2,6-dimethyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one hydrate dihydrochloride Openeye Name: 1-(4-cinnamyl-2,6-dimethyl-piperazin-1-yl)butan-1-one hydrate dihydrochloride CAS Name: 1-[2,6-dimethyl-4-(3-phenylprop-2-enyl)-1-piperazinyl]-1-butanone hydrate dihydrochloride IUPAC Name: 1-[2,6-dimethyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one hydrate dihydrochloride Traditional Name: 1-(4-cinnamyl-2,6-dimethyl-piperazino)butan-1-one hydrate dihydrochloride Formula: C38H60Cl2N4O3 MolecularWeight: 691.814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CN(CC1C)CC=CC2=CC=CC=C2)C.CCCC(=O)N1C(CN(CC1C)CC=CC2=CC=CC=C2)C.O.Cl.Cl

Isomeric SMILES

CCCC(=O)N1C(CN(CC1C)CC=CC2=CC=CC=C2)C.CCCC(=O)N1C(CN(CC1C)CC=CC2=CC=CC=C2)C.O.Cl.Cl

InChI

InChI=1S/2C19H28N2O.2ClH.H2O/c2*1-4-9-19(22)21-16(2)14-20(15-17(21)3)13-8-12-18-10-6-5-7-11-18;;;/h2*5-8,10-12,16-17H,4,9,13-15H2,1-3H3;2*1H;1H2