1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]azocan-1-ium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]azocan-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]azocan-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]azocan-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]azocan-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)azocan-1-ium Formula: C16H25BrNO2+ MolecularWeight: 343.2792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCCCCC2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCCCCCC2)Br)OC

InChI

InChI=1S/C16H24BrNO2/c1-19-15-11-16(20-2)14(17)10-13(15)12-18-8-6-4-3-5-7-9-18/h10-11H,3-9,12H2,1-2H3/p+1