7-nitro-5,6-bis(oxidanyl)-2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one hydrochloride

Systemtic Name: 7-nitro-5,6-bis(oxidanyl)-2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one hydrochloride Openeye Name: 5,6-dihydroxy-7-nitro-2-(1-piperidylmethyl)indan-1-one hydrochloride CAS Name: 5,6-dihydroxy-7-nitro-2-(1-piperidinylmethyl)-2,3-dihydroinden-1-one hydrochloride IUPAC Name: 5,6-dihydroxy-7-nitro-2-(piperidin-1-ylmethyl)-2,3-dihydroinden-1-one hydrochloride Traditional Name: 5,6-dihydroxy-7-nitro-2-(piperidinomethyl)indan-1-one hydrochloride Formula: C15H19ClN2O5 MolecularWeight: 342.77476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O.Cl

Isomeric SMILES

C1CCN(CC1)CC2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O.Cl

InChI

InChI=1S/C15H18N2O5.ClH/c18-11-7-9-6-10(8-16-4-2-1-3-5-16)14(19)12(9)13(15(11)20)17(21)22;/h7,10,18,20H,1-6,8H2;1H