1-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-phenethylpiperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-phenethylpiperazin-4-ium Traditional Name: 1-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2/c22-21(23)18-8-6-17(7-9-18)20-14-12-19(13-15-20)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2/p+1