3-chloranyl-1-(2-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(2-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O3/c1-29-18-10-6-5-9-17(18)26-21(27)19(23)20(22(26)28)25-13-11-24(12-14-25)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3/p+1