(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-hydroxyethyl)azanium Openeye Name: (2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-hydroxyethyl)ammonium CAS Name: (2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-(2-hydroxyethyl)azanium Traditional Name: (2-bromo-5-methoxy-4-propargyloxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C13H17BrNO3+ MolecularWeight: 315.18298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCO)Br)OCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCO)Br)OCC#C

InChI

InChI=1S/C13H16BrNO3/c1-3-6-18-13-8-11(14)10(7-12(13)17-2)9-15-4-5-16/h1,7-8,15-16H,4-6,9H2,2H3/p+1