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

Systemtic Name: 1-[(2S)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]piperidin-1-ium-4-carboxamide Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)N)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O

InChI

InChI=1S/C19H28N2O4/c1-14(22)2-3-15-4-6-18(7-5-15)25-13-17(23)12-21-10-8-16(9-11-21)19(20)24/h4-7,16-17,23H,2-3,8-13H2,1H3,(H2,20,24)/p+1/t17-/m0/s1