4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H27N5O2/c1-27-16-18(14-26-27)17-28-12-9-22(10-13-28)30-21-7-5-19(6-8-21)23(29)25-15-20-4-2-3-11-24-20/h2-8,11,14,16,22H,9-10,12-13,15,17H2,1H3,(H,25,29)/p+1