1-ethyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C18H31N4O2+3 MolecularWeight: 335.46434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O2/c1-2-19-10-12-21(13-11-19)17-6-8-20(9-7-17)15-16-4-3-5-18(14-16)22(23)24/h3-5,14,17H,2,6-13,15H2,1H3/p+3