[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-(3-pyridylmethyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-(3-pyridylmethyl)ammonium Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH2+]CC2=CN=CC=C2)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH2+]CC2=CN=CC=C2)O

InChI

InChI=1S/C18H24N2O2/c1-14(2)17-7-3-4-8-18(17)22-13-16(21)12-20-11-15-6-5-9-19-10-15/h3-10,14,16,20-21H,11-13H2,1-2H3/p+1/t16-/m0/s1