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

Systemtic Name: 2-(3-chloranyl-2-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(3-chloro-2-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(3-chloro-2-methylphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3-chloro-2-methylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(3-chloro-2-methyl-phenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-quinone Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O2/c1-3-25-11-13-26(14-12-25)15-19-17-7-4-5-8-18(17)22(28)27(23(19)29)21-10-6-9-20(24)16(21)2/h4-10,15H,3,11-14H2,1-2H3/p+1