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

Systemtic Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O/c1-2-16-9-11-18(12-10-16)23-21(27)15-26-13-5-6-17(14-26)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,27)(H,24,25)/p+1/t17-/m1/s1