5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-(4-thiazolylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)coumarilamide Formula: C28H38N3O3S+ MolecularWeight: 496.68462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CSC=N4)O

Isomeric SMILES

C[C@H](CCC=C(C)C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CSC=N4)O

InChI

InChI=1S/C28H37N3O3S/c1-20(2)6-5-7-21(3)16-31-12-10-28(33,11-13-31)23-8-9-25-22(14-23)15-26(34-25)27(32)30(4)17-24-18-35-19-29-24/h6,8-9,14-15,18-19,21,33H,5,7,10-13,16-17H2,1-4H3/p+1/t21-/m1/s1