(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-(2-methoxyethyl)azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-(2-methoxyethyl)azanium Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)methyl-(2-methoxyethyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(2-methoxyethyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(2-methoxyethyl)azanium Traditional Name: (3-bromo-5-ethoxy-4-methoxy-benzyl)-(2-methoxyethyl)ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCOC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCOC)Br)OC

InChI

InChI=1S/C13H20BrNO3/c1-4-18-12-8-10(9-15-5-6-16-2)7-11(14)13(12)17-3/h7-8,15H,4-6,9H2,1-3H3/p+1