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1-(4-nitrophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium

1-(4-nitrophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name:1-(4-nitrophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium
Openeye Name:1-[(3-benzyloxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium
CAS Name:1-(4-nitrophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium
IUPAC Name:1-(4-nitrophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium
Traditional Name:1-(3-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(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

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


InChI

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


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