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

Systemtic Name: 3-chloranyl-1-(4-methoxyphenyl)-4-piperazin-4-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-methoxyphenyl)-4-piperazin-4-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-methoxyphenyl)-4-(1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-methoxyphenyl)-4-piperazin-4-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-chloro-1-(4-methoxyphenyl)-4-piperazin-4-ium-1-yl-3-pyrroline-2,5-quinone Formula: C15H17ClN3O3+ MolecularWeight: 322.76678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH2+]CC3

InChI

InChI=1S/C15H16ClN3O3/c1-22-11-4-2-10(3-5-11)19-14(20)12(16)13(15(19)21)18-8-6-17-7-9-18/h2-5,17H,6-9H2,1H3/p+1