2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-p-phenetyl-acetamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O2/c1-2-28-18-11-9-17(10-12-18)23-21(27)15-26-13-5-6-16(14-26)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,27)(H,24,25)/p+1/t16-/m1/s1