2-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3S)-1-[2-(1-pyrazolyl)ethyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C17H22N5+ MolecularWeight: 296.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCN2C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCN2C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H21N5/c1-2-7-16-15(6-1)19-17(20-16)14-5-3-9-21(13-14)11-12-22-10-4-8-18-22/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,19,20)/p+1/t14-/m0/s1