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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-(o-tolyl)isoquinoline-1,3-dione CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-(o-tolyl)isoquinoline-1,3-quinone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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=CC=CC=C4C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-3-24-12-14-25(15-13-24)16-20-18-9-5-6-10-19(18)22(27)26(23(20)28)21-11-7-4-8-17(21)2/h4-11,16H,3,12-15H2,1-2H3/p+1