1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-(4-propylpiperazin-1-yl)propan-1-one dihydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-3-(4-propylpiperazin-1-yl)propan-1-one dihydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-propylpiperazin-1-yl)propan-1-one dihydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-propyl-1-piperazinyl)-1-propanone dihydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one dihydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-propylpiperazino)propan-1-one dihydrochloride Formula: C16H25Cl2N3O5 MolecularWeight: 410.2928

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCCN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C16H23N3O5.2ClH/c1-2-4-17-6-8-18(9-7-17)5-3-14(20)12-10-13(19(23)24)16(22)15(21)11-12;;/h10-11,21-22H,2-9H2,1H3;2*1H