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

Systemtic Name: (4-phenoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (4-phenoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: (4-phenoxyphenyl)-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-phenoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: (4-phenoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C18H20NO2+ MolecularWeight: 282.3569

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H19NO2/c20-18(15-5-4-12-19-13-15)14-8-10-17(11-9-14)21-16-6-2-1-3-7-16/h1-3,6-11,15,19H,4-5,12-13H2/p+1/t15-/m0/s1