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

Systemtic Name: 2-(4-methylphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 4-[(4-methylpiperazin-4-ium-1-yl)methylene]-2-(p-tolyl)isoquinoline-1,3-dione CAS Name: 2-(4-methylphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-methylphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)methylene]-2-(p-tolyl)isoquinoline-1,3-quinone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CC[NH+](CC4)C)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CC[NH+](CC4)C)C2=O

InChI

InChI=1S/C22H23N3O2/c1-16-7-9-17(10-8-16)25-21(26)19-6-4-3-5-18(19)20(22(25)27)15-24-13-11-23(2)12-14-24/h3-10,15H,11-14H2,1-2H3/p+1