3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1H-indole Formula: C21H25N3O2+2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H23N3O2/c1-2-4-19-18(3-1)17(12-22-19)14-24-9-7-23(8-10-24)13-16-5-6-20-21(11-16)26-15-25-20/h1-6,11-12,22H,7-10,13-15H2/p+2