(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (1-ethyl-3,5-dimethyl-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:

CCN1C(=C(C(=N1)C)C[NH+](CC2=C(C=CS2)C)CC(C)O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+](CC2=C(C=CS2)C)C[C@H](C)O)C

InChI

InChI=1S/C17H27N3OS/c1-6-20-15(5)16(14(4)18-20)10-19(9-13(3)21)11-17-12(2)7-8-22-17/h7-8,13,21H,6,9-11H2,1-5H3/p+1/t13-/m0/s1