1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C20H23ClN3O5+ MolecularWeight: 420.86672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-28-17-6-7-19(18(12-17)24(26)27)29-14-20(25)23-10-8-22(9-11-23)13-15-2-4-16(21)5-3-15/h2-7,12H,8-11,13-14H2,1H3/p+1