1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxybenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O3/c28-27(29)23-10-8-22(9-11-23)26-16-14-25(15-17-26)18-20-6-12-24(13-7-20)30-19-21-4-2-1-3-5-21/h1-13H,14-19H2/p+1