cyclohexyl-[(2S)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]azanium

Systemtic Name: cyclohexyl-[(2S)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]azanium Openeye Name: [(2S)-3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]-cyclohexyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]ammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]azanium Traditional Name: [(2S)-3-(4-benzoxyphenoxy)-2-hydroxy-propyl]-cyclohexyl-ammonium Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]CC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)[NH2+]C[C@@H](COC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO3/c24-20(15-23-19-9-5-2-6-10-19)17-26-22-13-11-21(12-14-22)25-16-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19-20,23-24H,2,5-6,9-10,15-17H2/p+1/t20-/m0/s1