2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dichlorophenyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dichlorophenyl)ethanamide Openeye Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide CAS Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide Formula: C20H21Cl2N4O+ MolecularWeight: 404.31294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20Cl2N4O/c21-15-8-7-14(10-16(15)22)23-19(27)12-26-9-3-4-13(11-26)20-24-17-5-1-2-6-18(17)25-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,23,27)(H,24,25)/p+1/t13-/m0/s1