1-[(3-bromanyl-4-methoxy-phenyl)methyl]azocan-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]azocan-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]azocan-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]azocan-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]azocan-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)azocan-1-ium Formula: C15H23BrNO+ MolecularWeight: 313.25322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCCCCC2)Br

InChI

InChI=1S/C15H22BrNO/c1-18-15-8-7-13(11-14(15)16)12-17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10,12H2,1H3/p+1