[2-[2-[(2S)-butan-2-yl]phenoxy]pyridin-4-yl]methylazanium

Systemtic Name: [2-[2-[(2S)-butan-2-yl]phenoxy]pyridin-4-yl]methylazanium Openeye Name: [2-[2-[(1S)-1-methylpropyl]phenoxy]-4-pyridyl]methylammonium CAS Name: [2-[2-[(2S)-butan-2-yl]phenoxy]-4-pyridinyl]methylammonium IUPAC Name: [2-[2-[(2S)-butan-2-yl]phenoxy]pyridin-4-yl]methylazanium Traditional Name: [2-[2-[(1S)-1-methylpropyl]phenoxy]-4-pyridyl]methylammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC2=NC=CC(=C2)C[NH3+]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC2=NC=CC(=C2)C[NH3+]

InChI

InChI=1S/C16H20N2O/c1-3-12(2)14-6-4-5-7-15(14)19-16-10-13(11-17)8-9-18-16/h4-10,12H,3,11,17H2,1-2H3/p+1/t12-/m0/s1