(2S)-2-[(2R)-1-methylpiperidin-1-ium-2-yl]azepan-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C2CCCCC[NH2+]2

Isomeric SMILES

C[NH+]1CCCC[C@@H]1[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C12H24N2/c1-14-10-6-4-8-12(14)11-7-3-2-5-9-13-11/h11-13H,2-10H2,1H3/p+2/t11-,12+/m0/s1