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

Systemtic Name: 3-chloranyl-1-(2-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-(o-tolyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(2-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-(o-tolyl)-3-pyrroline-2,5-quinone Formula: C16H19ClN3O2+ MolecularWeight: 320.79396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H18ClN3O2/c1-11-5-3-4-6-12(11)20-15(21)13(17)14(16(20)22)19-9-7-18(2)8-10-19/h3-6H,7-10H2,1-2H3/p+1