2-(4-chloranyl-2-methyl-phenoxy)ethyl-(3-methoxypropyl)azanium

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)ethyl-(3-methoxypropyl)azanium Openeye Name: 2-(4-chloro-2-methyl-phenoxy)ethyl-(3-methoxypropyl)ammonium CAS Name: 2-(4-chloro-2-methylphenoxy)ethyl-(3-methoxypropyl)ammonium IUPAC Name: 2-(4-chloro-2-methylphenoxy)ethyl-(3-methoxypropyl)azanium Traditional Name: 2-(4-chloro-2-methyl-phenoxy)ethyl-(3-methoxypropyl)ammonium Formula: C13H21ClNO2+ MolecularWeight: 258.76434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC[NH2+]CCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC[NH2+]CCCOC

InChI

InChI=1S/C13H20ClNO2/c1-11-10-12(14)4-5-13(11)17-9-7-15-6-3-8-16-2/h4-5,10,15H,3,6-9H2,1-2H3/p+1