[3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [3-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzyl]ammonium Formula: C15H26N2+2 MolecularWeight: 234.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=CC(=CC=C2)C[NH3+])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC2=CC(=CC=C2)C[NH3+])C

InChI

InChI=1S/C15H24N2/c1-12-5-3-6-13(2)17(12)11-15-8-4-7-14(9-15)10-16/h4,7-9,12-13H,3,5-6,10-11,16H2,1-2H3/p+2/t12-,13-/m0/s1