[(2S)-1-(cyclohexylmethoxy)-3-(1H-imidazol-1-ium-4-yl)propan-2-yl]azanium dichloride

Systemtic Name: [(2S)-1-(cyclohexylmethoxy)-3-(1H-imidazol-1-ium-4-yl)propan-2-yl]azanium dichloride Openeye Name: [(1S)-1-(cyclohexylmethoxymethyl)-2-(1H-imidazol-1-ium-4-yl)ethyl]ammonium dichloride CAS Name: [(2S)-1-(cyclohexylmethoxy)-3-(1H-imidazol-1-ium-4-yl)propan-2-yl]ammonium dichloride IUPAC Name: [(2S)-1-(cyclohexylmethoxy)-3-(1H-imidazol-1-ium-4-yl)propan-2-yl]azanium dichloride Traditional Name: [(1S)-1-(cyclohexylmethoxymethyl)-2-(1H-imidazol-1-ium-4-yl)ethyl]ammonium dichloride Formula: C13H25Cl2N3O MolecularWeight: 310.2631

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COCC(CC2=C[NH2+]C=N2)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1CCC(CC1)COC[C@H](CC2=C[NH2+]C=N2)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C13H23N3O.2ClH/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11;;/h7,10-12H,1-6,8-9,14H2,(H,15,16);2*1H/t12-;;/m0../s1