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

Systemtic Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-18(2,3)21-16(23)12-22-10-6-7-13(11-22)17-19-14-8-4-5-9-15(14)20-17/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,20)(H,21,23)/p+1/t13-/m1/s1