1-phenyl-4-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-phenyl-4-[1-(4-pyridin-1-iumylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[1-(pyridin-1-ium-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C21H31N4+3 MolecularWeight: 339.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4/c1-2-4-20(5-3-1)24-14-16-25(17-15-24)21-8-12-23(13-9-21)18-19-6-10-22-11-7-19/h1-7,10-11,21H,8-9,12-18H2/p+3