5-nitro-2-(piperidin-1-ium-4-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(piperidin-1-ium-4-ylmethyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(piperidin-1-ium-4-ylmethyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(4-piperidin-1-iumylmethyl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(piperidin-1-ium-4-ylmethyl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(piperidin-1-ium-4-ylmethyl)isoindoline-1,3-quinone Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c18-13-11-2-1-10(17(20)21)7-12(11)14(19)16(13)8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2/p+1