1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)furan-2-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)furan-2-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-furanyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-furoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(O1)C(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(O1)C(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)O

InChI

InChI=1S/C21H29N3O4/c1-20(2,27)9-8-16-6-7-17(28-16)18(25)23-14-10-21(11-15-23,19(22)26)24-12-4-3-5-13-24/h6-7,27H,3-5,10-15H2,1-2H3,(H2,22,26)/p+1