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

Systemtic Name: [(2S)-2-oxidanyl-3-phenoxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-phenoxypropyl]-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-phenoxypropyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C21H36N2O2+2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC(COC2=CC=CC=C2)O)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(C[NH2+]C[C@@H](COC2=CC=CC=C2)O)[NH+]3CCCCC3

InChI

InChI=1S/C21H34N2O2/c24-19(17-25-20-10-4-1-5-11-20)16-22-18-21(12-6-2-7-13-21)23-14-8-3-9-15-23/h1,4-5,10-11,19,22,24H,2-3,6-9,12-18H2/p+2/t19-/m0/s1