(2S)-2-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium

Systemtic Name: (2S)-2-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium Openeye Name: (2S)-2-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium CAS Name: (2S)-2-(1-methyl-4-piperidin-1-iumyl)azepan-1-ium IUPAC Name: (2S)-2-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium Traditional Name: (2S)-2-(1-methylpiperidin-1-ium-4-yl)azepan-1-ium Formula: C12H26N2+2 MolecularWeight: 198.34824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2CCCCC[NH2+]2

Isomeric SMILES

C[NH+]1CCC(CC1)[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C12H24N2/c1-14-9-6-11(7-10-14)12-5-3-2-4-8-13-12/h11-13H,2-10H2,1H3/p+2/t12-/m0/s1