(E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(4-methyl-1-piperazin-4-iumyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C21H23N4OS+ MolecularWeight: 379.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-23-11-13-24(14-12-23)20(26)10-9-17-16-25(18-6-3-2-4-7-18)22-21(17)19-8-5-15-27-19/h2-10,15-16H,11-14H2,1H3/p+1/b10-9+