3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(4-methyl-1-piperazin-4-iumyl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-23-11-13-24(14-12-23)19-18(22)20(26)25(21(19)27)15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3/p+1