3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propanamide

Systemtic Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propanamide Openeye Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propanamide CAS Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropylpropanamide Traditional Name: 3-[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propionamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3N2)CCC(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3N2)CCC(=O)NC4CC4

InChI

InChI=1S/C19H26N4O/c24-19(20-15-8-9-15)10-7-14-4-3-11-23(12-14)13-18-21-16-5-1-2-6-17(16)22-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,20,24)(H,21,22)/p+1/t14-/m1/s1