[2-[4-(4-oxidanylpiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [2-[4-(4-oxidanylpiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [2-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [2-[[4-(4-hydroxy-1-piperidin-1-iumyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [2-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [2-[4-(4-hydroxypiperidin-1-ium-1-yl)butanoylamino]benzyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CCCC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C1C[NH+](CCC1O)CCCC(=O)NC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C16H25N3O2/c17-12-13-4-1-2-5-15(13)18-16(21)6-3-9-19-10-7-14(20)8-11-19/h1-2,4-5,14,20H,3,6-12,17H2,(H,18,21)/p+2