methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-bis(prop-2-ynyl)azanium bromide

Systemtic Name: methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-bis(prop-2-ynyl)azanium bromide Openeye Name: [2-benzyloxy-1-(4-benzyloxyphenyl)ethyl]-methyl-bis(prop-2-ynyl)ammonium bromide CAS Name: methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-bis(prop-2-ynyl)ammonium bromide IUPAC Name: methyl-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]-bis(prop-2-ynyl)azanium bromide Traditional Name: [2-benzoxy-1-(4-benzoxyphenyl)ethyl]-methyl-dipropargyl-ammonium bromide Formula: C29H30BrNO2 MolecularWeight: 504.458

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC#C)(CC#C)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+](CC#C)(CC#C)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C29H30NO2.BrH/c1-4-20-30(3,21-5-2)29(24-31-22-25-12-8-6-9-13-25)27-16-18-28(19-17-27)32-23-26-14-10-7-11-15-26;/h1-2,6-19,29H,20-24H2,3H3;1H/q+1;/p-1