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

Systemtic Name: 2-hydroxyethyl-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-(3-pyridylmethyl)ammonium Formula: C22H33N3O+2 MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CCO)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CCO)CC3=CN=CC=C3

InChI

InChI=1S/C22H31N3O/c1-19-5-2-3-7-22(19)18-24-11-8-20(9-12-24)16-25(13-14-26)17-21-6-4-10-23-15-21/h2-7,10,15,20,26H,8-9,11-14,16-18H2,1H3/p+2