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

Systemtic Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-bromophenyl)acetamide Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O/c21-15-7-9-16(10-8-15)22-19(26)13-25-11-3-4-14(12-25)20-23-17-5-1-2-6-18(17)24-20/h1-2,5-10,14H,3-4,11-13H2,(H,22,26)(H,23,24)/p+1/t14-/m0/s1