methyl-[3-[2-(4-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]propyl]azanium

Systemtic Name: methyl-[3-[2-(4-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]propyl]azanium Openeye Name: methyl-[3-[2-(4-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]propyl]ammonium CAS Name: methyl-[3-[2-(4-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]propyl]ammonium IUPAC Name: methyl-[3-[2-(4-nitrophenyl)-5-thiophen-2-ylpyrazol-3-yl]propyl]azanium Traditional Name: methyl-[3-[2-(4-nitrophenyl)-5-(2-thienyl)pyrazol-3-yl]propyl]ammonium Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH2+]CCCC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H18N4O2S/c1-18-10-2-4-15-12-16(17-5-3-11-24-17)19-20(15)13-6-8-14(9-7-13)21(22)23/h3,5-9,11-12,18H,2,4,10H2,1H3/p+1