3-chloranyl-1-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-ethoxyphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-ethoxyphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-p-phenetyl-3-pyrroline-2,5-quinone Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3/c1-3-20-9-11-21(12-10-20)16-15(19)17(23)22(18(16)24)13-5-7-14(8-6-13)25-4-2/h5-8H,3-4,9-12H2,1-2H3/p+1