ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C23H35N3+2 MolecularWeight: 353.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2C)CC3=CC=NC=C3

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2C)CC3=CC=NC=C3

InChI

InChI=1S/C23H33N3/c1-3-25(18-21-8-13-24-14-9-21)19-22-10-15-26(16-11-22)17-12-23-7-5-4-6-20(23)2/h4-9,13-14,22H,3,10-12,15-19H2,1-2H3/p+2