(4-phenylphenyl)-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-phenylphenyl)-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-phenylphenyl)-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-phenylphenyl)-[(3R)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-phenylphenyl)-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-phenylphenyl)-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=NN2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O/c26-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)20-7-4-14-25(15-20)16-21-12-13-23-24-21/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,23,24)/p+1/t20-/m1/s1