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

Systemtic Name: 5-(4-nitrophenoxy)-2-(piperidin-1-ium-4-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(4-nitrophenoxy)-2-(piperidin-1-ium-4-ylmethyl)isoindoline-1,3-dione CAS Name: 5-(4-nitrophenoxy)-2-(4-piperidin-1-iumylmethyl)isoindole-1,3-dione IUPAC Name: 5-(4-nitrophenoxy)-2-(piperidin-1-ium-4-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(4-nitrophenoxy)-2-(piperidin-1-ium-4-ylmethyl)isoindoline-1,3-quinone Formula: C20H20N3O5+ MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c24-19-17-6-5-16(28-15-3-1-14(2-4-15)23(26)27)11-18(17)20(25)22(19)12-13-7-9-21-10-8-13/h1-6,11,13,21H,7-10,12H2/p+1