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

Systemtic Name: 1-[(2S)-3-(2-acetamidophenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(2-acetamidophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(2-acetamidophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(2-acetamidophenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(C[NH+]2CCC(CC2)C(=O)N)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O

InChI

InChI=1S/C17H25N3O4/c1-12(21)19-15-4-2-3-5-16(15)24-11-14(22)10-20-8-6-13(7-9-20)17(18)23/h2-5,13-14,22H,6-11H2,1H3,(H2,18,23)(H,19,21)/p+1/t14-/m0/s1