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

Systemtic Name: 3-chloranyl-1-(2-ethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(2-ethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2-ethylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(2-ethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(2-ethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H20ClN3O2/c1-3-12-6-4-5-7-13(12)21-16(22)14(18)15(17(21)23)20-10-8-19(2)9-11-20/h4-7H,3,8-11H2,1-2H3/p+1