2-(4-methoxyphenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methoxyphenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methoxyphenoxy)-1-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-27-18-5-7-19(8-6-18)28-15-20(24)22-11-9-21(10-12-22)14-16-3-2-4-17(13-16)23(25)26/h2-8,13H,9-12,14-15H2,1H3/p+1