2-[2-(2-tert-butyl-4-chloranyl-phenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium

Systemtic Name: 2-[2-(2-tert-butyl-4-chloranyl-phenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium Openeye Name: 2-[2-(2-tert-butyl-4-chloro-phenoxy)ethoxy]ethyl-(3-methoxypropyl)ammonium CAS Name: 2-[2-(2-tert-butyl-4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)ammonium IUPAC Name: 2-[2-(2-tert-butyl-4-chlorophenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium Traditional Name: 2-[2-(2-tert-butyl-4-chloro-phenoxy)ethoxy]ethyl-(3-methoxypropyl)ammonium Formula: C18H31ClNO3+ MolecularWeight: 344.89664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCOCC[NH2+]CCCOC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCOCC[NH2+]CCCOC

InChI

InChI=1S/C18H30ClNO3/c1-18(2,3)16-14-15(19)6-7-17(16)23-13-12-22-11-9-20-8-5-10-21-4/h6-7,14,20H,5,8-13H2,1-4H3/p+1