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

Systemtic Name: (4-phenoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-phenoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-phenoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-phenoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-phenoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-22(18-5-4-14-25(15-18)16-19-12-13-23-24-19)17-8-10-21(11-9-17)27-20-6-2-1-3-7-20/h1-3,6-13,18H,4-5,14-16H2,(H,23,24)/p+1/t18-/m0/s1