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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)C

InChI

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