1-[(2-nitrophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-(3-phenoxybenzyl)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[N+](=O)[O-])CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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