(4-oxidanylcyclohexyl)-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium

Systemtic Name: (4-oxidanylcyclohexyl)-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH2+]CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)O

Isomeric SMILES

C1CC(CCC1[NH2+]C[C@@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)O

InChI

InChI=1S/C21H27NO3/c23-19-10-8-18(9-11-19)22-14-20(24)15-25-21-12-6-17(7-13-21)16-4-2-1-3-5-16/h1-7,12-13,18-20,22-24H,8-11,14-15H2/p+1/t18?,19?,20-/m0/s1