2-(azepan-1-ium-1-ylmethyl)-5,6-bis(chloranyl)isoindole-1,3-dione

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5,6-bis(chloranyl)isoindole-1,3-dione Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5,6-dichloro-isoindoline-1,3-dione CAS Name: 2-(1-azepan-1-iumylmethyl)-5,6-dichloroisoindole-1,3-dione IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5,6-dichloroisoindole-1,3-dione Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5,6-dichloro-isoindoline-1,3-quinone Formula: C15H17Cl2N2O2+ MolecularWeight: 328.21368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16Cl2N2O2/c16-12-7-10-11(8-13(12)17)15(21)19(14(10)20)9-18-5-3-1-2-4-6-18/h7-8H,1-6,9H2/p+1