[1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-3-piperidyl]-(3-methyl-2-thienyl)methanone CAS Name: [1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-3-piperidinyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-3-piperidyl]-(3-methyl-2-thienyl)methanone Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C23H27NO2S/c1-17-11-14-27-22(17)21(25)20-5-4-13-24(16-20)15-19-8-6-18(7-9-19)10-12-23(2,3)26/h6-9,11,14,20,26H,4-5,13,15-16H2,1-3H3