1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C22H30N4O2+2 MolecularWeight: 382.4992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O2/c27-26(28)22-8-4-5-19(17-22)18-23-11-9-21(10-12-23)25-15-13-24(14-16-25)20-6-2-1-3-7-20/h1-8,17,21H,9-16,18H2/p+2