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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,5-dimethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(2,5-dimethoxyphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,5-dimethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,5-dimethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-4-25-11-13-26(14-12-25)16-20-18-7-5-6-8-19(18)23(28)27(24(20)29)21-15-17(30-2)9-10-22(21)31-3/h5-10,15-16H,4,11-14H2,1-3H3/p+1