(2R)-2-[(3-methylpyridin-4-yl)methyl]azepan-1-ium

Systemtic Name: (2R)-2-[(3-methylpyridin-4-yl)methyl]azepan-1-ium Openeye Name: (2R)-2-[(3-methyl-4-pyridyl)methyl]azepan-1-ium CAS Name: (2R)-2-[(3-methyl-4-pyridinyl)methyl]azepan-1-ium IUPAC Name: (2R)-2-[(3-methylpyridin-4-yl)methyl]azepan-1-ium Traditional Name: (2R)-2-[(3-methyl-4-pyridyl)methyl]azepan-1-ium Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CC2CCCCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2/c1-11-10-14-8-6-12(11)9-13-5-3-2-4-7-15-13/h6,8,10,13,15H,2-5,7,9H2,1H3/p+1/t13-/m1/s1