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

Systemtic Name: [(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-(4-oxidanylcyclohexyl)azanium Openeye Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-(4-hydroxycyclohexyl)ammonium CAS Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-(4-hydroxycyclohexyl)ammonium IUPAC Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-(4-hydroxycyclohexyl)azanium Traditional Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-(4-hydroxycyclohexyl)ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c17-9-12-1-7-16(8-2-12)21-11-15(20)10-18-13-3-5-14(19)6-4-13/h1-2,7-8,13-15,18-20H,3-6,10-11H2/p+1/t13?,14?,15-/m0/s1