[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C21H23N3O2/c1-21(2,26)11-10-17-6-8-18(9-7-17)20(25)24-15-13-23(14-16-24)19-5-3-4-12-22-19/h3-9,12,26H,13-16H2,1-2H3/p+1