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

Systemtic Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[1-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-17-4-3-5-19(14-17)30-16-23(28)24-18-6-7-21-20(15-18)25-22(26(21)2)8-9-27-10-12-29-13-11-27/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,28)/p+1