[3-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanoyl]amino]benzyl]ammonium Formula: C16H27N3O+2 MolecularWeight: 277.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-12-6-3-4-9-19(12)13(2)16(20)18-15-8-5-7-14(10-15)11-17/h5,7-8,10,12-13H,3-4,6,9,11,17H2,1-2H3,(H,18,20)/p+2/t12-,13-/m0/s1