(3S)-1-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[5-(2,5-dimethoxyphenyl)-2-hydroxy-phenyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[5-(2,5-dimethoxyphenyl)-2-hydroxy-benzyl]piperidin-1-ium-3-carboxamide Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C21H26N2O4/c1-26-17-6-8-20(27-2)18(11-17)14-5-7-19(24)16(10-14)13-23-9-3-4-15(12-23)21(22)25/h5-8,10-11,15,24H,3-4,9,12-13H2,1-2H3,(H2,22,25)/p+1/t15-/m0/s1