diethyl-[3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]propyl]azanium Traditional Name: diethyl-[3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]propyl]ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-3-24(4-2)14-9-13-22-21(26)18-16-25(17-10-6-5-7-11-17)23-20(18)19-12-8-15-27-19/h5-8,10-12,15-16H,3-4,9,13-14H2,1-2H3,(H,22,26)/p+1