2,2-dimethoxyethyl-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: 2,2-dimethoxyethyl-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: 2,2-dimethoxyethyl-[[5-(2-thienyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 2,2-dimethoxyethyl-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ammonium IUPAC Name: 2,2-dimethoxyethyl-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: 2,2-dimethoxyethyl-[[5-(2-thienyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

COC(C[NH2+]CC1=C(NN=C1)C2=CC=CS2)OC

Isomeric SMILES

COC(C[NH2+]CC1=C(NN=C1)C2=CC=CS2)OC

InChI

InChI=1S/C12H17N3O2S/c1-16-11(17-2)8-13-6-9-7-14-15-12(9)10-4-3-5-18-10/h3-5,7,11,13H,6,8H2,1-2H3,(H,14,15)/p+1