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

Systemtic Name: 3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3OC)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3OC)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-3-19-8-10-20(11-9-19)15-14(18)16(22)21(17(15)23)12-6-4-5-7-13(12)24-2/h4-7H,3,8-11H2,1-2H3/p+1