3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 3-[[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H33N5O2/c1-3-13-31-19-22(20(2)29-31)18-30-14-10-24(11-15-30)33-25-9-6-7-21(16-25)26(32)28-17-23-8-4-5-12-27-23/h4-9,12,16,19,24H,3,10-11,13-15,17-18H2,1-2H3,(H,28,32)/p+1