[(2S)-3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-(2-hydroxyethyl)-methyl-azanium

Systemtic Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-(2-hydroxyethyl)-methyl-azanium Openeye Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-(2-hydroxyethyl)-methyl-ammonium CAS Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-(2-hydroxyethyl)-methylammonium IUPAC Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-(2-hydroxyethyl)-methylazanium Traditional Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C22H34NO3+ MolecularWeight: 360.51026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C[NH+](CCO)C[C@@H](COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C22H33NO3/c1-23(6-7-24)14-20(25)15-26-21-4-2-19(3-5-21)22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-18,20,24-25H,6-15H2,1H3/p+1/t16?,17?,18?,20-,22?/m0/s1