[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(2,6-dimethylphenoxy)-3-pyridyl]methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(2,6-dimethylphenoxy)-3-pyridyl]methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C22H33N3O+2 MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)C[NH2+]C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)C[NH2+]C3CC[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+2