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

Systemtic Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCC[C@H](C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H24N4O/c1-12(2)18-16(22)11-21-9-5-6-13(10-21)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,22)(H,19,20)/p+1/t13-/m1/s1