N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-propan-2-yl-piperidin-1-ium-4-amine

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-propan-2-yl-piperidin-1-ium-4-amine Openeye Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-isopropyl-piperidin-1-ium-4-amine CAS Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-propan-2-yl-4-piperidin-1-iumamine IUPAC Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-propan-2-ylpiperidin-1-ium-4-amine Traditional Name: [2-(2,6-dimethylphenoxy)-3-pyridyl]methyl-(1-isopropylpiperidin-1-ium-4-yl)amine Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H31N3O/c1-16(2)25-13-10-20(11-14-25)24-15-19-9-6-12-23-22(19)26-21-17(3)7-5-8-18(21)4/h5-9,12,16,20,24H,10-11,13-15H2,1-4H3/p+1