2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H27N3O3/c25-19(23-11-5-1-2-6-12-23)16-9-13-22(14-10-16)15-24-20(26)17-7-3-4-8-18(17)21(24)27/h3-4,7-8,16H,1-2,5-6,9-15H2/p+1