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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-18-7-9-19(10-8-18)14-13(17)15(21)20(16(14)22)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1