2-(2-ethyl-6-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2-ethyl-6-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2-ethyl-6-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(2-ethyl-6-methylphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2-ethyl-6-methylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2-ethyl-6-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-quinone Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C(=CN4CC[NH+](CC4)CC)C2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C(=CN4CC[NH+](CC4)CC)C2=O)C

InChI

InChI=1S/C25H29N3O2/c1-4-19-10-8-9-18(3)23(19)28-24(29)21-12-7-6-11-20(21)22(25(28)30)17-27-15-13-26(5-2)14-16-27/h6-12,17H,4-5,13-16H2,1-3H3/p+1