3-[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3)O

InChI

InChI=1S/C24H34N2O3/c1-24(2,28)12-9-20-3-5-22(6-4-20)19-25-13-10-21(11-14-25)7-8-23(27)26-15-17-29-18-16-26/h3-6,21,28H,7-8,10-11,13-19H2,1-2H3/p+1