1-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O

InChI

InChI=1S/C17H24N2O4/c1-12(20)13-2-4-16(5-3-13)23-11-15(21)10-19-8-6-14(7-9-19)17(18)22/h2-5,14-15,21H,6-11H2,1H3,(H2,18,22)/p+1/t15-/m0/s1