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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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