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

Systemtic Name: 5-nitro-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-5-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 5-nitro-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-nitroisoindole-1,3-dione hydrochloride Traditional Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-5-nitro-isoindoline-1,3-quinone hydrochloride Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H23N3O4.ClH/c26-21-19-7-6-18(25(28)29)14-20(19)22(27)24(21)13-10-16-8-11-23(12-9-16)15-17-4-2-1-3-5-17;/h1-7,14,16H,8-13,15H2;1H