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

Systemtic Name: [(2S)-heptan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-methylhexyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S)-heptan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-heptan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-methylhexyl]-(4-pyridylmethyl)ammonium Formula: C13H23N2+ MolecularWeight: 207.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2/c1-3-4-5-6-12(2)15-11-13-7-9-14-10-8-13/h7-10,12,15H,3-6,11H2,1-2H3/p+1/t12-/m0/s1