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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H28N6O2/c29-21(25-20-9-12-23-28(20)17-5-1-2-6-17)15-26-13-10-16(11-14-26)27-19-8-4-3-7-18(19)24-22(27)30/h3-4,7-9,12,16-17H,1-2,5-6,10-11,13-15H2,(H,24,30)(H,25,29)/p+1