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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(4-nitrobenzyl)-4-phenyl-piperazin-1-ium Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c21-20(22)17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9H,10-14H2/p+1