2-(2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-nitrophenoxy)-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-nitrophenoxy)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c24-20(16-28-19-9-5-4-8-18(19)23(25)26)22-12-10-21(11-13-22)14-15-27-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1