[5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-propan-2-yloxy-phenyl]methanol

Systemtic Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-propan-2-yloxy-phenyl]methanol Openeye Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-isopropoxy-phenyl]methanol CAS Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]-2-propan-2-yloxyphenyl]methanol IUPAC Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol Traditional Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-isopropoxy-phenyl]methanol Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C23H30N2O4/c1-16(2)29-21-7-5-17(10-18(21)14-26)12-25-9-3-4-20(13-25)24-19-6-8-22-23(11-19)28-15-27-22/h5-8,10-11,16,20,24,26H,3-4,9,12-15H2,1-2H3/p+1/t20-/m0/s1