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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCC[NH+]1CCN2C3=CC=CC=C3N=C2NCC4=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