1-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C18H27N2O5+ MolecularWeight: 351.41738

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-12(21)14-3-4-16(17(9-14)24-2)25-11-15(22)10-20-7-5-13(6-8-20)18(19)23/h3-4,9,13,15,22H,5-8,10-11H2,1-2H3,(H2,19,23)/p+1/t15-/m0/s1