(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C14H19BrN3O2+ MolecularWeight: 341.22356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)O

InChI

InChI=1S/C14H18BrN3O2/c1-20-13-8-11(7-12(15)14(13)19)9-16-3-2-5-18-6-4-17-10-18/h4,6-8,10,16,19H,2-3,5,9H2,1H3/p+1