(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidin-1-ium

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidin-1-ium Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidin-1-ium CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidin-1-ium IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidin-1-ium Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-piperidin-1-ium Formula: C19H22NO3+ MolecularWeight: 312.38288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(C1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+]C[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21NO3/c1-2-4-14(5-3-1)17-8-9-20-11-15(17)12-21-16-6-7-18-19(10-16)23-13-22-18/h1-7,10,15,17,20H,8-9,11-13H2/p+1/t15-,17-/m0/s1