2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O3/c1-17-7-4-8-18(10-9-17)14(20)11-19-15(21)12-5-2-3-6-13(12)16(19)22/h2-3,5-6H,4,7-11H2,1H3/p+1