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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C16H23BrN3O2+ MolecularWeight: 369.27672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]CCCN2C=CN=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]CCCN2C=CN=C2)OC

InChI

InChI=1S/C16H22BrN3O2/c1-3-22-16-14(17)9-13(10-15(16)21-2)11-18-5-4-7-20-8-6-19-12-20/h6,8-10,12,18H,3-5,7,11H2,1-2H3/p+1