5-[5-(4-bromophenyl)-2-thiophen-2-ylcarbonyl-pyrazol-3-yl]pentyl-methyl-azanium

Systemtic Name: 5-[5-(4-bromophenyl)-2-thiophen-2-ylcarbonyl-pyrazol-3-yl]pentyl-methyl-azanium Openeye Name: 5-[5-(4-bromophenyl)-2-(thiophene-2-carbonyl)pyrazol-3-yl]pentyl-methyl-ammonium CAS Name: 5-[5-(4-bromophenyl)-2-[oxo(thiophen-2-yl)methyl]-3-pyrazolyl]pentyl-methylammonium IUPAC Name: 5-[5-(4-bromophenyl)-2-(thiophene-2-carbonyl)pyrazol-3-yl]pentyl-methylazanium Traditional Name: 5-[5-(4-bromophenyl)-2-(2-thenoyl)pyrazol-3-yl]pentyl-methyl-ammonium Formula: C20H23BrN3OS+ MolecularWeight: 433.38512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCCCC1=CC(=NN1C(=O)C2=CC=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[NH2+]CCCCCC1=CC(=NN1C(=O)C2=CC=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3OS/c1-22-12-4-2-3-6-17-14-18(15-8-10-16(21)11-9-15)23-24(17)20(25)19-7-5-13-26-19/h5,7-11,13-14,22H,2-4,6,12H2,1H3/p+1