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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-(4-nitrobenzyl)piperazin-4-ium Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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