[(2S)-4-[4-(pyridin-3-ylmethoxy)phenyl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-[4-(pyridin-3-ylmethoxy)phenyl]butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-[4-(3-pyridylmethoxy)phenyl]propyl]ammonium CAS Name: [(2S)-4-[4-(3-pyridinylmethoxy)phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-(pyridin-3-ylmethoxy)phenyl]butan-2-yl]azanium Traditional Name: [(1S)-1-methyl-3-[4-(3-pyridylmethoxy)phenyl]propyl]ammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OCC2=CN=CC=C2)[NH3+]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OCC2=CN=CC=C2)[NH3+]

InChI

InChI=1S/C16H20N2O/c1-13(17)4-5-14-6-8-16(9-7-14)19-12-15-3-2-10-18-11-15/h2-3,6-11,13H,4-5,12,17H2,1H3/p+1/t13-/m0/s1