(5-ethanoyl-2-oxidanyl-phenyl)methyl-diethyl-azanium

Systemtic Name: (5-ethanoyl-2-oxidanyl-phenyl)methyl-diethyl-azanium Openeye Name: (5-acetyl-2-hydroxy-phenyl)methyl-diethyl-ammonium CAS Name: (5-acetyl-2-hydroxyphenyl)methyl-diethylammonium IUPAC Name: (5-acetyl-2-hydroxyphenyl)methyl-diethylazanium Traditional Name: (5-acetyl-2-hydroxy-benzyl)-diethyl-ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)C(=O)C)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)C(=O)C)O

InChI

InChI=1S/C13H19NO2/c1-4-14(5-2)9-12-8-11(10(3)15)6-7-13(12)16/h6-8,16H,4-5,9H2,1-3H3/p+1