1-[[4-(diethylamino)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-(diethylamino)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-(diethylamino)-2-hydroxy-phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-(diethylamino)-2-hydroxy-benzyl]piperidin-1-ium-4-carboxamide Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)N)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)N)O

InChI

InChI=1S/C17H27N3O2/c1-3-20(4-2)15-6-5-14(16(21)11-15)12-19-9-7-13(8-10-19)17(18)22/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H2,18,22)/p+1