(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-ol CAS Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumol IUPAC Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3S)-1-piperonylpiperidin-1-ium-3-ol Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C13H17NO3/c15-11-2-1-5-14(8-11)7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,15H,1-2,5,7-9H2/p+1/t11-/m0/s1