3-(4-bromanyl-2-chloranyl-phenoxy)propyl-(phenylmethyl)azanium

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)propyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(4-bromo-2-chloro-phenoxy)propyl]ammonium CAS Name: 3-(4-bromo-2-chlorophenoxy)propyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(4-bromo-2-chlorophenoxy)propyl]azanium Traditional Name: benzyl-[3-(4-bromo-2-chloro-phenoxy)propyl]ammonium Formula: C16H18BrClNO+ MolecularWeight: 355.67722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCCOC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCCOC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H17BrClNO/c17-14-7-8-16(15(18)11-14)20-10-4-9-19-12-13-5-2-1-3-6-13/h1-3,5-8,11,19H,4,9-10,12H2/p+1