(2S)-2-[(6-methylpyridin-2-yl)methyl]azepan-1-ium

Systemtic Name: (2S)-2-[(6-methylpyridin-2-yl)methyl]azepan-1-ium Openeye Name: (2S)-2-[(6-methyl-2-pyridyl)methyl]azepan-1-ium CAS Name: (2S)-2-[(6-methyl-2-pyridinyl)methyl]azepan-1-ium IUPAC Name: (2S)-2-[(6-methylpyridin-2-yl)methyl]azepan-1-ium Traditional Name: (2S)-2-[(6-methyl-2-pyridyl)methyl]azepan-1-ium Formula: C13H21N2+ MolecularWeight: 205.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CC2CCCCC[NH2+]2

Isomeric SMILES

CC1=NC(=CC=C1)C[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C13H20N2/c1-11-6-5-8-13(15-11)10-12-7-3-2-4-9-14-12/h5-6,8,12,14H,2-4,7,9-10H2,1H3/p+1/t12-/m0/s1