[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: [5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: [5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC=C(S3)C#CC(C)(C)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC=C(S3)C#CC(C)(C)O

InChI

InChI=1S/C22H25N3OS/c1-16(21-15-24-25(17(21)2)18-8-6-5-7-9-18)23-14-20-11-10-19(27-20)12-13-22(3,4)26/h5-11,15-16,23,26H,14H2,1-4H3/p+1/t16-/m0/s1