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

Systemtic Name: [3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]phenyl]methylazanium Openeye Name: [3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenyl]methylammonium CAS Name: [3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]phenyl]methylammonium IUPAC Name: [3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzyl]ammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=CC(=CC=C2)C[NH3+]

Isomeric SMILES

C1C[NH+](CCC1O)CC2=CC(=CC=C2)C[NH3+]

InChI

InChI=1S/C13H20N2O/c14-9-11-2-1-3-12(8-11)10-15-6-4-13(16)5-7-15/h1-3,8,13,16H,4-7,9-10,14H2/p+2