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

Systemtic Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C23H36NO4+ MolecularWeight: 390.53624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(C[NH+](CCO)CCO)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC[C@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C23H35NO4/c25-7-5-24(6-8-26)15-21(27)16-28-22-3-1-20(2-4-22)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21,25-27H,5-16H2/p+1/t17?,18?,19?,21-,23?/m0/s1