N-[(3-methoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine Openeye Name: N-[(3-methoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine CAS Name: N-[(3-methoxyphenyl)methyl]-1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolamine IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine Traditional Name: m-anisyl-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]amine Formula: C22H29N4O+ MolecularWeight: 365.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OC)N=C1C[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OC)N=C1C[NH+]4CCCCC4

InChI

InChI=1S/C22H28N4O/c1-25-21-10-9-18(23-15-17-7-6-8-19(13-17)27-2)14-20(21)24-22(25)16-26-11-4-3-5-12-26/h6-10,13-14,23H,3-5,11-12,15-16H2,1-2H3/p+1