(5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (5-tert-butyl-1H-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=C(NN=C2)C(C)(C)C)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=C(NN=C2)C(C)(C)C)C[C@H](C)O

InChI

InChI=1S/C17H27N3OS/c1-12-6-7-22-15(12)11-20(9-13(2)21)10-14-8-18-19-16(14)17(3,4)5/h6-8,13,21H,9-11H2,1-5H3,(H,18,19)/p+1/t13-/m0/s1