2-adamantyl-[3-[2-(4-chloranylphenoxy)ethanoyloxy]propyl]azanium

Systemtic Name: 2-adamantyl-[3-[2-(4-chloranylphenoxy)ethanoyloxy]propyl]azanium Openeye Name: 2-adamantyl-[3-[2-(4-chlorophenoxy)acetyl]oxypropyl]ammonium CAS Name: 2-adamantyl-[3-[2-(4-chlorophenoxy)-1-oxoethoxy]propyl]ammonium IUPAC Name: 2-adamantyl-[3-[2-(4-chlorophenoxy)acetyl]oxypropyl]azanium Traditional Name: 2-adamantyl-[3-[2-(4-chlorophenoxy)acetyl]oxypropyl]ammonium Formula: C21H29ClNO3+ MolecularWeight: 378.91286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO3/c22-18-2-4-19(5-3-18)26-13-20(24)25-7-1-6-23-21-16-9-14-8-15(11-16)12-17(21)10-14/h2-5,14-17,21,23H,1,6-13H2/p+1