[(4S)-2,2-dimethyloxan-4-yl]methyl-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]azanium

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]methyl-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]azanium Openeye Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]methyl-[[2-(2-methylphenoxy)-3-pyridyl]methyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]methyl-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]ammonium IUPAC Name: [(4S)-2,2-dimethyloxan-4-yl]methyl-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]azanium Traditional Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]methyl-[[2-(2-methylphenoxy)-3-pyridyl]methyl]ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C=CC=N2)C[NH2+]CC3CCOC(C3)(C)C

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C=CC=N2)C[NH2+]C[C@H]3CCOC(C3)(C)C

InChI

InChI=1S/C21H28N2O2/c1-16-7-4-5-9-19(16)25-20-18(8-6-11-23-20)15-22-14-17-10-12-24-21(2,3)13-17/h4-9,11,17,22H,10,12-15H2,1-3H3/p+1/t17-/m0/s1