5-nitro-2-(piperidin-1-ylmethyl)isoindole-1,3-dione hydrochloride

Systemtic Name: 5-nitro-2-(piperidin-1-ylmethyl)isoindole-1,3-dione hydrochloride Openeye Name: 5-nitro-2-(1-piperidylmethyl)isoindoline-1,3-dione hydrochloride CAS Name: 5-nitro-2-(1-piperidinylmethyl)isoindole-1,3-dione hydrochloride IUPAC Name: 5-nitro-2-(piperidin-1-ylmethyl)isoindole-1,3-dione hydrochloride Traditional Name: 5-nitro-2-(piperidinomethyl)isoindoline-1,3-quinone hydrochloride Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H15N3O4.ClH/c18-13-11-5-4-10(17(20)21)8-12(11)14(19)16(13)9-15-6-2-1-3-7-15;/h4-5,8H,1-3,6-7,9H2;1H