8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[(4-piperonylpiperazin-1-ium-1-yl)methyl]quinoline Formula: C22H24N3O2+ MolecularWeight: 362.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O2/c1-3-18-5-2-8-23-22(18)19(4-1)15-25-11-9-24(10-12-25)14-17-6-7-20-21(13-17)27-16-26-20/h1-8,13H,9-12,14-16H2/p+1