N-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]-piperonyl-amine Formula: C21H25N4O3+ MolecularWeight: 381.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N4O3/c1-2-4-18-17(3-1)23-21(25(18)8-7-24-9-11-26-12-10-24)22-14-16-5-6-19-20(13-16)28-15-27-19/h1-6,13H,7-12,14-15H2,(H,22,23)/p+1