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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O4/c20-16-3-7-18(8-4-16)27-14-19(24)22-11-9-21(10-12-22)13-15-1-5-17(6-2-15)23(25)26/h1-8H,9-14H2/p+1