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

Systemtic Name: [(2S)-4-[4-(pyridin-4-ylmethoxy)phenyl]butan-2-yl]azanium Openeye Name: [(1S)-1-methyl-3-[4-(4-pyridylmethoxy)phenyl]propyl]ammonium CAS Name: [(2S)-4-[4-(pyridin-4-ylmethoxy)phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-(pyridin-4-ylmethoxy)phenyl]butan-2-yl]azanium Traditional Name: [(1S)-1-methyl-3-[4-(4-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=CC=NC=C2)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O/c1-13(17)2-3-14-4-6-16(7-5-14)19-12-15-8-10-18-11-9-15/h4-11,13H,2-3,12,17H2,1H3/p+1/t13-/m0/s1