1-(1,3-benzodioxol-5-ylmethyl)-4-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3R)-chroman-3-yl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperazin-4-ium Traditional Name: 1-[(3R)-chroman-3-yl]-4-piperonyl-piperazin-1-ium Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC3=CC=CC=C3OC2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC3=CC=CC=C3OC2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N2O3/c1-2-4-19-17(3-1)12-18(14-24-19)23-9-7-22(8-10-23)13-16-5-6-20-21(11-16)26-15-25-20/h1-6,11,18H,7-10,12-15H2/p+1/t18-/m1/s1