2-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol CAS Name: 2-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]phenoxy]ethanol IUPAC Name: 2-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Formula: C21H27N2O4+ MolecularWeight: 371.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2OCCO)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2OCCO)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O4/c24-10-11-25-19-6-2-1-4-16(19)13-23-9-3-5-18(14-23)22-17-7-8-20-21(12-17)27-15-26-20/h1-2,4,6-8,12,18,22,24H,3,5,9-11,13-15H2/p+1/t18-/m0/s1