1-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(2,5-dimethoxyphenyl)-2-hydroxy-phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[5-(2,5-dimethoxyphenyl)-2-hydroxy-benzyl]piperidin-1-ium-4-carboxamide Formula: C21H27N2O4+ MolecularWeight: 371.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H26N2O4/c1-26-17-4-6-20(27-2)18(12-17)15-3-5-19(24)16(11-15)13-23-9-7-14(8-10-23)21(22)25/h3-6,11-12,14,24H,7-10,13H2,1-2H3,(H2,22,25)/p+1