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

Systemtic Name: 2-(3-methylphenoxy)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-16-3-2-4-19(13-16)27-15-20(24)22-11-9-21(10-12-22)14-17-5-7-18(8-6-17)23(25)26/h2-8,13H,9-12,14-15H2,1H3/p+1