N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]isoxazole-3-carboxamide CAS Name: N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]isoxazole-3-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-16-11-19(25-24-16)14-23-22(28)21-13-20(29-26-21)15-27-9-7-18(8-10-27)12-17-5-3-2-4-6-17/h2-6,11,13,18H,7-10,12,14-15H2,1H3,(H,23,28)(H,24,25)/p+1