1-[4-[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-15(25)16-4-6-18(7-5-16)23-10-8-22(9-11-23)14-17-12-20(28-2)21(29-3)13-19(17)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3/p+1