N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C23H26N5O2S+ MolecularWeight: 436.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N5O2S/c29-21(24-17-8-9-17)16-26-10-12-27(13-11-26)23(30)19-15-28(18-5-2-1-3-6-18)25-22(19)20-7-4-14-31-20/h1-7,14-15,17H,8-13,16H2,(H,24,29)/p+1