1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-3-nitro-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=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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