5-(1-cyclohexyl-4-oxidanyl-piperidin-1-ium-4-yl)-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-(1-cyclohexyl-4-oxidanyl-piperidin-1-ium-4-yl)-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(1-cyclohexyl-4-hydroxy-piperidin-1-ium-4-yl)-N-methyl-N-(6-quinolylmethyl)benzofuran-2-carboxamide CAS Name: 5-(1-cyclohexyl-4-hydroxy-4-piperidin-1-iumyl)-N-methyl-N-(6-quinolinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-(1-cyclohexyl-4-hydroxypiperidin-1-ium-4-yl)-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(1-cyclohexyl-4-hydroxy-piperidin-1-ium-4-yl)-N-methyl-N-(6-quinolylmethyl)coumarilamide Formula: C31H36N3O3+ MolecularWeight: 498.63584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)N=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)C5(CC[NH+](CC5)C6CCCCC6)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)N=CC=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)C5(CC[NH+](CC5)C6CCCCC6)O

InChI

InChI=1S/C31H35N3O3/c1-33(21-22-9-11-27-23(18-22)6-5-15-32-27)30(35)29-20-24-19-25(10-12-28(24)37-29)31(36)13-16-34(17-14-31)26-7-3-2-4-8-26/h5-6,9-12,15,18-20,26,36H,2-4,7-8,13-14,16-17,21H2,1H3/p+1