[1-[[4-(dimethylamino)-2-oxidanyl-phenyl]carbonylamino]-3-ethyl-pentan-3-yl]azanium iodide

Systemtic Name: [1-[[4-(dimethylamino)-2-oxidanyl-phenyl]carbonylamino]-3-ethyl-pentan-3-yl]azanium iodide Openeye Name: [3-[[4-(dimethylamino)-2-hydroxy-benzoyl]amino]-1,1-diethyl-propyl]ammonium iodide CAS Name: [1-[[[4-(dimethylamino)-2-hydroxyphenyl]-oxomethyl]amino]-3-ethylpentan-3-yl]ammonium iodide IUPAC Name: [1-[[4-(dimethylamino)-2-hydroxybenzoyl]amino]-3-ethylpentan-3-yl]azanium iodide Traditional Name: [3-[[4-(dimethylamino)-2-hydroxy-benzoyl]amino]-1,1-diethyl-propyl]ammonium iodide Formula: C16H28IN3O2 MolecularWeight: 421.31689

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCNC(=O)C1=C(C=C(C=C1)N(C)C)O)[NH3+].[I-]

Isomeric SMILES

CCC(CC)(CCNC(=O)C1=C(C=C(C=C1)N(C)C)O)[NH3+].[I-]

InChI

InChI=1S/C16H27N3O2.HI/c1-5-16(17,6-2)9-10-18-15(21)13-8-7-12(19(3)4)11-14(13)20;/h7-8,11,20H,5-6,9-10,17H2,1-4H3,(H,18,21);1H