3-[1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3)O

InChI

InChI=1S/C24H31N3O2S/c1-24(2,29)12-9-21-6-7-22(30-21)18-27-14-10-19(11-15-27)5-8-23(28)26-17-20-4-3-13-25-16-20/h3-4,6-7,13,16,19,29H,5,8,10-11,14-15,17-18H2,1-2H3,(H,26,28)/p+1