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

Systemtic Name: [3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)NC2=CC=CC(=C2)C[NH3+])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC(=O)NC2=CC=CC(=C2)C[NH3+])C

InChI

InChI=1S/C16H25N3O/c1-12-5-3-6-13(2)19(12)11-16(20)18-15-8-4-7-14(9-15)10-17/h4,7-9,12-13H,3,5-6,10-11,17H2,1-2H3,(H,18,20)/p+2/t12-,13-/m0/s1