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

Systemtic Name: 2-(2,3-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,3-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(2,3-dimethylphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,3-dimethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,3-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(=C4C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4C)C

InChI

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