(4-cyanophenyl)-[1-(4-hydroxyphenyl)-3-oxidanylidene-hexan-2-yl]-dimethyl-azanium

Systemtic Name: (4-cyanophenyl)-[1-(4-hydroxyphenyl)-3-oxidanylidene-hexan-2-yl]-dimethyl-azanium Openeye Name: (4-cyanophenyl)-[1-[(4-hydroxyphenyl)methyl]-2-oxo-pentyl]-dimethyl-ammonium CAS Name: (4-cyanophenyl)-[1-(4-hydroxyphenyl)-3-oxohexan-2-yl]-dimethylammonium IUPAC Name: (4-cyanophenyl)-[1-(4-hydroxyphenyl)-3-oxohexan-2-yl]-dimethylazanium Traditional Name: (4-cyanophenyl)-[1-(4-hydroxybenzyl)-2-keto-pentyl]-dimethyl-ammonium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC1=CC=C(C=C1)O)[N+](C)(C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC(=O)C(CC1=CC=C(C=C1)O)[N+](C)(C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H24N2O2/c1-4-5-21(25)20(14-16-8-12-19(24)13-9-16)23(2,3)18-10-6-17(15-22)7-11-18/h6-13,20H,4-5,14H2,1-3H3/p+1