N-(1,3-benzodioxol-5-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Traditional Name: [1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-piperonyl-amine Formula: C22H27N4O2+ MolecularWeight: 379.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H26N4O2/c1-4-10-25(11-5-1)12-13-26-19-7-3-2-6-18(19)24-22(26)23-15-17-8-9-20-21(14-17)28-16-27-20/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,23,24)/p+1