5-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-furan-2-carboxamide

Systemtic Name: 5-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-furan-2-carboxamide Openeye Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-furan-2-carboxamide CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-N-phenethyl-2-furancarboxamide IUPAC Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethylfuran-2-carboxamide Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-2-furamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(O1)C(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(O1)C(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)O

InChI

InChI=1S/C25H32N2O3/c1-25(2,29)15-11-22-9-10-23(30-22)24(28)27(18-14-20-7-5-4-6-8-20)19-21-12-16-26(3)17-13-21/h4-10,21,29H,12-14,16-19H2,1-3H3/p+1