1-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(4-cumylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH+]3CCC(CC3)C(=O)N)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)N)O

InChI

InChI=1S/C24H32N2O3/c1-24(2,19-6-4-3-5-7-19)20-8-10-22(11-9-20)29-17-21(27)16-26-14-12-18(13-15-26)23(25)28/h3-11,18,21,27H,12-17H2,1-2H3,(H2,25,28)/p+1/t21-/m0/s1