3-(3,5-dimethylpiperazin-1-yl)-1-(3-nitrophenyl)propan-1-one dihydrochloride

Systemtic Name: 3-(3,5-dimethylpiperazin-1-yl)-1-(3-nitrophenyl)propan-1-one dihydrochloride Openeye Name: 3-(3,5-dimethylpiperazin-1-yl)-1-(3-nitrophenyl)propan-1-one dihydrochloride CAS Name: 3-(3,5-dimethyl-1-piperazinyl)-1-(3-nitrophenyl)-1-propanone dihydrochloride IUPAC Name: 3-(3,5-dimethylpiperazin-1-yl)-1-(3-nitrophenyl)propan-1-one dihydrochloride Traditional Name: 3-(3,5-dimethylpiperazino)-1-(3-nitrophenyl)propan-1-one dihydrochloride Formula: C15H23Cl2N3O3 MolecularWeight: 364.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1CN(CC(N1)C)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C15H21N3O3.2ClH/c1-11-9-17(10-12(2)16-11)7-6-15(19)13-4-3-5-14(8-13)18(20)21;;/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3;2*1H