2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-hydroxy-1-piperidin-1-iumyl)ethyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide Traditional Name: N-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]-2-veratryl-1,3-benzoxazole-6-carboxamide Formula: C24H30N3O5+ MolecularWeight: 440.5121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCC[NH+]4CCC(CC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCC[NH+]4CCC(CC4)O)OC

InChI

InChI=1S/C24H29N3O5/c1-30-20-6-3-16(13-22(20)31-2)14-23-26-19-5-4-17(15-21(19)32-23)24(29)25-9-12-27-10-7-18(28)8-11-27/h3-6,13,15,18,28H,7-12,14H2,1-2H3,(H,25,29)/p+1