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

Systemtic Name: (5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (1-allyl-5-methyl-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(5-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (1-allyl-5-methyl-pyrazol-4-yl)methyl-[(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-5-7-20-15(4)16(9-18-20)11-19(10-14(3)21)12-17-13(2)6-8-22-17/h5-6,8-9,14,21H,1,7,10-12H2,2-4H3/p+1/t14-/m0/s1