4-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C25H31N2O2+ MolecularWeight: 391.52584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C25H30N2O2/c1-25(2,29)16-14-21-10-12-22(13-11-21)24(28)26-23-9-6-17-27(19-23)18-15-20-7-4-3-5-8-20/h3-5,7-8,10-13,23,29H,6,9,15,17-19H2,1-2H3,(H,26,28)/p+1/t23-/m0/s1