3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(5-methyl-1-phenyl-pyrazol-3-yl)propan-1-one

Systemtic Name: 3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(5-methyl-1-phenyl-pyrazol-3-yl)propan-1-one Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5-methyl-1-phenyl-pyrazol-3-yl)propan-1-one CAS Name: 3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-(5-methyl-1-phenyl-3-pyrazolyl)-1-propanone IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(5-methyl-1-phenylpyrazol-3-yl)propan-1-one Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5-methyl-1-phenyl-pyrazol-3-yl)propan-1-one Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2)C(=O)CCC3CC[N+](CC3)(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2)C(=O)CCC3CC[N+](CC3)(C)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N3O/c1-21-19-25(27-28(21)24-11-7-4-8-12-24)26(30)14-13-22-15-17-29(2,18-16-22)20-23-9-5-3-6-10-23/h3-12,19,22H,13-18,20H2,1-2H3/q+1