3-(4-bromanyl-2-methyl-phenoxy)propyl-(3-methoxypropyl)azanium

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)propyl-(3-methoxypropyl)azanium Openeye Name: 3-(4-bromo-2-methyl-phenoxy)propyl-(3-methoxypropyl)ammonium CAS Name: 3-(4-bromo-2-methylphenoxy)propyl-(3-methoxypropyl)ammonium IUPAC Name: 3-(4-bromo-2-methylphenoxy)propyl-(3-methoxypropyl)azanium Traditional Name: 3-(4-bromo-2-methyl-phenoxy)propyl-(3-methoxypropyl)ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC[NH2+]CCCOC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC[NH2+]CCCOC

InChI

InChI=1S/C14H22BrNO2/c1-12-11-13(15)5-6-14(12)18-10-4-8-16-7-3-9-17-2/h5-6,11,16H,3-4,7-10H2,1-2H3/p+1