(4-phenoxyphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-phenoxyphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-phenoxyphenyl)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-phenoxyphenyl)-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-phenoxyphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-phenoxyphenyl)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C24H25N2O2+ MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2/c27-24(20-10-12-23(13-11-20)28-22-8-2-1-3-9-22)21-7-5-15-26(18-21)17-19-6-4-14-25-16-19/h1-4,6,8-14,16,21H,5,7,15,17-18H2/p+1/t21-/m0/s1