N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[1-methyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N4O3/c1-16-4-3-5-18(12-16)29-15-22(27)23-17-6-7-20-19(13-17)24-21(25(20)2)14-26-8-10-28-11-9-26/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,27)/p+1