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

Systemtic Name: 1-[(2S)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-p-anisyloxy-propyl]piperidin-1-ium-4-carboxamide Formula: C17H27N2O4+ MolecularWeight: 323.40728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC(C[NH+]2CCC(CC2)C(=O)N)O

Isomeric SMILES

COC1=CC=C(C=C1)COC[C@H](C[NH+]2CCC(CC2)C(=O)N)O

InChI

InChI=1S/C17H26N2O4/c1-22-16-4-2-13(3-5-16)11-23-12-15(20)10-19-8-6-14(7-9-19)17(18)21/h2-5,14-15,20H,6-12H2,1H3,(H2,18,21)/p+1/t15-/m0/s1