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

Systemtic Name: 3-(3-methylpiperidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(3-methyl-1-piperidyl)propan-1-one hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(3-methyl-1-piperidinyl)-1-propanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(3-methylpiperidino)propan-1-one hydrochloride Formula: C15H21ClN2O5 MolecularWeight: 344.79064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CC1CCCN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H20N2O5.ClH/c1-10-3-2-5-16(9-10)6-4-13(18)11-7-12(17(21)22)15(20)14(19)8-11;/h7-8,10,19-20H,2-6,9H2,1H3;1H