3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(Z)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]propionamide Formula: C27H29N6OS+ MolecularWeight: 485.62376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N/N=C\C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6OS/c34-26(13-14-31-15-17-32(18-16-31)23-8-3-1-4-9-23)29-28-20-22-21-33(24-10-5-2-6-11-24)30-27(22)25-12-7-19-35-25/h1-12,19-21H,13-18H2,(H,29,34)/p+1/b28-20-