[2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium

Systemtic Name: [2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium Openeye Name: [2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylammonium CAS Name: [2-[[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylazanium Traditional Name: [2-[[2-[(3S,5S)-3,5-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:

CC1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2C[NH3+])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2C[NH3+])C

InChI

InChI=1S/C16H25N3O/c1-12-7-13(2)10-19(9-12)11-16(20)18-15-6-4-3-5-14(15)8-17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)/p+2/t12-,13-/m0/s1