[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C27H40N2O2+2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(C[NH2+]C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)[NH+]4CCCCC4

InChI

InChI=1S/C27H38N2O2/c30-25(21-31-26-14-12-24(13-15-26)23-10-4-1-5-11-23)20-28-22-27(16-6-2-7-17-27)29-18-8-3-9-19-29/h1,4-5,10-15,25,28,30H,2-3,6-9,16-22H2/p+2/t25-/m0/s1