N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H32N4O/c1-20-25(21(2)30(28-20)19-22-9-5-3-6-10-22)17-27-26(31)24-13-11-23(12-14-24)18-29-15-7-4-8-16-29/h3,5-6,9-14H,4,7-8,15-19H2,1-2H3,(H,27,31)/p+1