2-(azepan-1-ium-1-ylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)isoindole-1,3-dione Openeye Name: 2-(azepan-1-ium-1-ylmethyl)isoindoline-1,3-dione CAS Name: 2-(1-azepan-1-iumylmethyl)isoindole-1,3-dione IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)isoindole-1,3-dione Traditional Name: 2-(azepan-1-ium-1-ylmethyl)isoindoline-1,3-quinone Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H18N2O2/c18-14-12-7-3-4-8-13(12)15(19)17(14)11-16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-11H2/p+1