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

Systemtic Name: 2-(2-ethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2-ethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(2-ethoxyphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2-ethoxyphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-o-phenetyl-isoquinoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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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=C4OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4OCC

InChI

InChI=1S/C24H27N3O3/c1-3-25-13-15-26(16-14-25)17-20-18-9-5-6-10-19(18)23(28)27(24(20)29)21-11-7-8-12-22(21)30-4-2/h5-12,17H,3-4,13-16H2,1-2H3/p+1