(2S,3S,6S)-N-[(4-methoxyphenyl)methyl]-3-oxidanyl-6-(2-piperidin-1-ium-1-ylethyl)oxane-2-carboxamide

Systemtic Name: (2S,3S,6S)-N-[(4-methoxyphenyl)methyl]-3-oxidanyl-6-(2-piperidin-1-ium-1-ylethyl)oxane-2-carboxamide Openeye Name: (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-piperidin-1-ium-1-ylethyl)tetrahydropyran-2-carboxamide CAS Name: (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-[2-(1-piperidin-1-iumyl)ethyl]-2-oxanecarboxamide IUPAC Name: (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-piperidin-1-ium-1-ylethyl)oxane-2-carboxamide Traditional Name: (2S,3S,6S)-3-hydroxy-N-p-anisyl-6-(2-piperidin-1-ium-1-ylethyl)tetrahydropyran-2-carboxamide Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2C(CCC(O2)CC[NH+]3CCCCC3)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@@H]2[C@H](CC[C@H](O2)CC[NH+]3CCCCC3)O

InChI

InChI=1S/C21H32N2O4/c1-26-17-7-5-16(6-8-17)15-22-21(25)20-19(24)10-9-18(27-20)11-14-23-12-3-2-4-13-23/h5-8,18-20,24H,2-4,9-15H2,1H3,(H,22,25)/p+1/t18-,19-,20-/m0/s1