4-(4-methylpent-4-en-2-ynyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide

Systemtic Name: 4-(4-methylpent-4-en-2-ynyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide Openeye Name: 4-(4-methylpent-4-en-2-ynyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide CAS Name: 4-(4-methylpent-4-en-2-ynyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide IUPAC Name: 4-(4-methylpent-4-en-2-ynyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide Traditional Name: 4-(4-methylpent-4-en-2-ynyl)-4-(3-phenylprop-2-ynyl)morpholin-4-ium bromide Formula: C19H22BrNO MolecularWeight: 360.28808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC[N+]1(CCOCC1)CC#CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(=C)C#CC[N+]1(CCOCC1)CC#CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C19H22NO.BrH/c1-18(2)8-6-12-20(14-16-21-17-15-20)13-7-11-19-9-4-3-5-10-19;/h3-5,9-10H,1,12-17H2,2H3;1H/q+1;/p-1