phenethyl-(phenylmethyl)-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: phenethyl-(phenylmethyl)-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: benzyl-phenethyl-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]ammonium CAS Name: phenethyl-(phenylmethyl)-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: benzyl-phenethyl-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-phenethyl-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]ammonium Formula: C26H33N3+2 MolecularWeight: 387.56032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CN=CC=C4

InChI

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