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

Systemtic Name: 3-chloranyl-1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(3,4-dimethylphenyl)-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:

CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C)C

InChI

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