2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]-1H-benzimidazole

Systemtic Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]-1H-benzimidazole Openeye Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-pyridyl]-1H-benzimidazole CAS Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-pyridinyl]-1H-benzimidazole IUPAC Name: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]-1H-benzimidazole Traditional Name: 2-[6-(4-piperonylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-benzimidazole Formula: C24H24N5O2+ MolecularWeight: 414.47966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC=C(C=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C24H23N5O2/c1-2-4-20-19(3-1)26-24(27-20)18-6-8-23(25-14-18)29-11-9-28(10-12-29)15-17-5-7-21-22(13-17)31-16-30-21/h1-8,13-14H,9-12,15-16H2,(H,26,27)/p+1