phenethyl-(phenylmethyl)-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: phenethyl-(phenylmethyl)-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: benzyl-phenethyl-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]ammonium CAS Name: phenethyl-(phenylmethyl)-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: benzyl-phenethyl-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-phenethyl-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]ammonium Formula: C26H33N3+2 MolecularWeight: 387.56032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C26H31N3/c1-3-9-23(10-4-1)14-20-29(21-24-11-5-2-6-12-24)26-15-18-28(19-16-26)22-25-13-7-8-17-27-25/h1-13,17,26H,14-16,18-22H2/p+2