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

Systemtic Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-ethoxy-phenyl]methanol Openeye Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-ethoxy-phenyl]methanol CAS Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]-2-ethoxyphenyl]methanol IUPAC Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-ethoxyphenyl]methanol Traditional Name: [5-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-2-ethoxy-phenyl]methanol Formula: C22H29N2O4+ MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C22H28N2O4/c1-2-26-20-7-5-16(10-17(20)14-25)12-24-9-3-4-19(13-24)23-18-6-8-21-22(11-18)28-15-27-21/h5-8,10-11,19,23,25H,2-4,9,12-15H2,1H3/p+1/t19-/m0/s1