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

Systemtic Name: 1-adamantyl-[(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]ammonium CAS Name: 1-adamantyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 1-adamantyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]azanium Traditional Name: 1-adamantyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]ammonium Formula: C19H26Cl2NO2+ MolecularWeight: 371.32124

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(COC4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]C[C@@H](COC4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C19H25Cl2NO2/c20-15-1-2-18(17(21)6-15)24-11-16(23)10-22-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,16,22-23H,3-5,7-11H2/p+1/t12?,13?,14?,16-,19?/m0/s1