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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+](CC2=C(C=CS2)C)CC(C)O)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+](CC2=C(C=CS2)C)C[C@H](C)O)C

InChI

InChI=1S/C17H27N3OS/c1-5-7-20-15(4)16(9-18-20)11-19(10-14(3)21)12-17-13(2)6-8-22-17/h6,8-9,14,21H,5,7,10-12H2,1-4H3/p+1/t14-/m0/s1