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

Systemtic Name: [2-[2-[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]methylazanium Openeye Name: [2-[[2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylammonium CAS Name: [2-[[2-[(3S)-3-carbamoyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [2-[[2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]methylazanium Traditional Name: [2-[[2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]acetyl]amino]benzyl]ammonium Formula: C15H24N4O2+2 MolecularWeight: 292.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2C[NH3+])C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2C[NH3+])C(=O)N

InChI

InChI=1S/C15H22N4O2/c16-8-11-4-1-2-6-13(11)18-14(20)10-19-7-3-5-12(9-19)15(17)21/h1-2,4,6,12H,3,5,7-10,16H2,(H2,17,21)(H,18,20)/p+2/t12-/m0/s1