5-nitro-2-[1-(phenylmethyl)piperidin-4-yl]isoindole-1,3-dione hydrochloride

Systemtic Name: 5-nitro-2-[1-(phenylmethyl)piperidin-4-yl]isoindole-1,3-dione hydrochloride Openeye Name: 2-(1-benzyl-4-piperidyl)-5-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 5-nitro-2-[1-(phenylmethyl)-4-piperidinyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-(1-benzylpiperidin-4-yl)-5-nitroisoindole-1,3-dione hydrochloride Traditional Name: 2-(1-benzyl-4-piperidyl)-5-nitro-isoindoline-1,3-quinone hydrochloride Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.Cl

InChI

InChI=1S/C20H19N3O4.ClH/c24-19-17-7-6-16(23(26)27)12-18(17)20(25)22(19)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;/h1-7,12,15H,8-11,13H2;1H