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

Systemtic Name: [3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-12-5-2-3-8-18(12)11-15(19)17-14-7-4-6-13(9-14)10-16/h4,6-7,9,12H,2-3,5,8,10-11,16H2,1H3,(H,17,19)/p+2/t12-/m0/s1