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

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H21N3O4/c1-24-14-4-2-13(3-5-14)20-16(22)12-15(17(20)23)19-8-6-18(7-9-19)10-11-21/h2-5,12,21H,6-11H2,1H3/p+1