[4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [4-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [4-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [4-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]benzyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C[NH3+])C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C[NH3+])C(=O)N

InChI

InChI=1S/C14H21N3O/c15-8-11-3-5-12(6-4-11)9-17-7-1-2-13(10-17)14(16)18/h3-6,13H,1-2,7-10,15H2,(H2,16,18)/p+2/t13-/m0/s1