[(2S)-octan-2-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(2S)-octan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-methylheptyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S)-octan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-octan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-methylheptyl]-(4-pyridylmethyl)ammonium Formula: C14H25N2+ MolecularWeight: 221.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CC1=CC=NC=C1

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CC1=CC=NC=C1

InChI

InChI=1S/C14H24N2/c1-3-4-5-6-7-13(2)16-12-14-8-10-15-11-9-14/h8-11,13,16H,3-7,12H2,1-2H3/p+1/t13-/m0/s1