2-(3,5-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(3,5-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(3,5-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(3,5-dimethylphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3,5-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(3,5-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-quinone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C24H27N3O2/c1-4-25-9-11-26(12-10-25)16-22-20-7-5-6-8-21(20)23(28)27(24(22)29)19-14-17(2)13-18(3)15-19/h5-8,13-16H,4,9-12H2,1-3H3/p+1