[(3S,4S)-3-(hydroxymethyl)-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(hydroxymethyl)-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [(3S,4S)-1-benzyl-3-(hydroxymethyl)piperidin-1-ium-4-yl]ammonium CAS Name: [(3S,4S)-3-(hydroxymethyl)-1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [(3S,4S)-1-benzyl-3-(hydroxymethyl)piperidin-1-ium-4-yl]azanium Traditional Name: [(3S,4S)-1-benzyl-3-methylol-piperidin-1-ium-4-yl]ammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH3+])CO)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](C[C@@H]([C@H]1[NH3+])CO)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/p+2/t12-,13+/m1/s1