2-(4-chlorophenyl)-7-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(4-chlorophenyl)-7-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-chlorophenyl)-7-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-chlorophenyl)-7-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-chlorophenyl)-7-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(4-chlorophenyl)-7-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-quinone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=C2C3=C(C=C(C=C3)OC)C(=O)N(C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C=C2C3=C(C=C(C=C3)OC)C(=O)N(C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-24-9-11-25(12-10-24)14-20-18-8-7-17(29-2)13-19(18)21(27)26(22(20)28)16-5-3-15(23)4-6-16/h3-8,13-14H,9-12H2,1-2H3/p+1