[(2S,3S)-3-(4-chlorophenyl)-1-cyclohexyl-aziridin-1-ium-2-yl]-(2-phenylmethoxyphenyl)methanone

Systemtic Name: [(2S,3S)-3-(4-chlorophenyl)-1-cyclohexyl-aziridin-1-ium-2-yl]-(2-phenylmethoxyphenyl)methanone Openeye Name: (2-benzyloxyphenyl)-[(2S,3S)-3-(4-chlorophenyl)-1-cyclohexyl-aziridin-1-ium-2-yl]methanone CAS Name: [(2S,3S)-3-(4-chlorophenyl)-1-cyclohexyl-2-aziridin-1-iumyl]-(2-phenylmethoxyphenyl)methanone IUPAC Name: [(2S,3S)-3-(4-chlorophenyl)-1-cyclohexylaziridin-1-ium-2-yl]-(2-phenylmethoxyphenyl)methanone Traditional Name: (2-benzoxyphenyl)-[(2S,3S)-3-(4-chlorophenyl)-1-cyclohexyl-ethylenimin-1-ium-2-yl]methanone Formula: C28H29ClNO2+ MolecularWeight: 446.98836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2C(C2C(=O)C3=CC=CC=C3OCC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2[C@H]([C@H]2C(=O)C3=CC=CC=C3OCC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClNO2/c29-22-17-15-21(16-18-22)26-27(30(26)23-11-5-2-6-12-23)28(31)24-13-7-8-14-25(24)32-19-20-9-3-1-4-10-20/h1,3-4,7-10,13-18,23,26-27H,2,5-6,11-12,19H2/p+1/t26-,27-,30?/m0/s1