[(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium

Systemtic Name: [(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: [(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: [(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: [(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: [(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C21H34Cl2N2O2+2 MolecularWeight: 417.41286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32Cl2N2O2/c22-17-7-8-20(19(23)13-17)27-15-18(26)14-24-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h7-8,13,18,24,26H,1-6,9-12,14-16H2/p+2/t18-/m0/s1