4,4-bis(3-phenylprop-2-ynyl)morpholin-4-ium bromide

Systemtic Name: 4,4-bis(3-phenylprop-2-ynyl)morpholin-4-ium bromide Openeye Name: 4,4-bis(3-phenylprop-2-ynyl)morpholin-4-ium bromide CAS Name: 4,4-bis(3-phenylprop-2-ynyl)morpholin-4-ium bromide IUPAC Name: 4,4-bis(3-phenylprop-2-ynyl)morpholin-4-ium bromide Traditional Name: 4,4-bis(3-phenylprop-2-ynyl)morpholin-4-ium bromide Formula: C22H22BrNO MolecularWeight: 396.32018

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1COCC[N+]1(CC#CC2=CC=CC=C2)CC#CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H22NO.BrH/c1-3-9-21(10-4-1)13-7-15-23(17-19-24-20-18-23)16-8-14-22-11-5-2-6-12-22;/h1-6,9-12H,15-20H2;1H/q+1;/p-1