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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5

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+1