[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-piperonylpiperazino)-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone Formula: C24H31N4O3+ MolecularWeight: 423.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CN=CC=C5

InChI

InChI=1S/C24H30N4O3/c29-24(21-5-8-26(9-6-21)17-20-2-1-7-25-15-20)28-12-10-27(11-13-28)16-19-3-4-22-23(14-19)31-18-30-22/h1-4,7,14-15,21H,5-6,8-13,16-18H2/p+1