ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-pyridylmethyl)ammonium CAS Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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