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

Systemtic Name: 1-[(2S)-3-[(2-methoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-one Openeye Name: 1-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-1-ium-4-one CAS Name: 1-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-4-piperidin-1-iumone IUPAC Name: 1-[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-1-ium-4-one Traditional Name: 1-[(2S)-2-hydroxy-3-o-anisyloxy-propyl]piperidin-1-ium-4-one Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COCC(C[NH+]2CCC(=O)CC2)O

Isomeric SMILES

COC1=CC=CC=C1COC[C@H](C[NH+]2CCC(=O)CC2)O

InChI

InChI=1S/C16H23NO4/c1-20-16-5-3-2-4-13(16)11-21-12-15(19)10-17-8-6-14(18)7-9-17/h2-5,15,19H,6-12H2,1H3/p+1/t15-/m0/s1