5-[1-(2,2-dimethylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-(2,2-dimethylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(6-quinolylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxy-4-piperidin-1-iumyl]-N-methyl-N-(6-quinolinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-1-ium-4-yl]-N-methyl-N-(quinolin-6-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-neopentyl-piperidin-1-ium-4-yl)-N-methyl-N-(6-quinolylmethyl)coumarilamide Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CC5=C(C=C4)N=CC=C5)O

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N(C)CC4=CC5=C(C=C4)N=CC=C5)O

InChI

InChI=1S/C30H35N3O3/c1-29(2,3)20-33-14-11-30(35,12-15-33)24-8-10-26-23(17-24)18-27(36-26)28(34)32(4)19-21-7-9-25-22(16-21)6-5-13-31-25/h5-10,13,16-18,35H,11-12,14-15,19-20H2,1-4H3/p+1