6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[(4-piperonylpiperazin-4-ium-1-yl)methyl]indan-5-ol Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H26N2O3/c25-20-12-18-3-1-2-17(18)11-19(20)14-24-8-6-23(7-9-24)13-16-4-5-21-22(10-16)27-15-26-21/h4-5,10-12,25H,1-3,6-9,13-15H2/p+1