N-[[(3R)-1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CO3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CO3)O

InChI

InChI=1S/C23H28N2O3/c1-23(2,27)12-11-18-7-9-19(10-8-18)16-25-13-3-5-20(17-25)15-24-22(26)21-6-4-14-28-21/h4,6-10,14,20,27H,3,5,13,15-17H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1