2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[(4-piperonylpiperazin-4-ium-1-yl)methyl]-1H-benzimidazole Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C20H22N4O2/c1-2-4-17-16(3-1)21-20(22-17)13-24-9-7-23(8-10-24)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11H,7-10,12-14H2,(H,21,22)/p+1