(2S)-2-(pyridin-2-ylmethyl)azepan-1-ium

Systemtic Name: (2S)-2-(pyridin-2-ylmethyl)azepan-1-ium Openeye Name: (2S)-2-(2-pyridylmethyl)azepan-1-ium CAS Name: (2S)-2-(2-pyridinylmethyl)azepan-1-ium IUPAC Name: (2S)-2-(pyridin-2-ylmethyl)azepan-1-ium Traditional Name: (2S)-2-(2-pyridylmethyl)azepan-1-ium Formula: C12H19N2+ MolecularWeight: 191.29266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)CC2=CC=CC=N2

Isomeric SMILES

C1CC[C@H]([NH2+]CC1)CC2=CC=CC=N2

InChI

InChI=1S/C12H18N2/c1-2-6-11(13-8-4-1)10-12-7-3-5-9-14-12/h3,5,7,9,11,13H,1-2,4,6,8,10H2/p+1/t11-/m0/s1