(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H22N5OS+ MolecularWeight: 404.50798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5OS/c1-16-18-15-19(29-22(18)27(24-16)17-7-3-2-4-8-17)21(28)26-13-11-25(12-14-26)20-9-5-6-10-23-20/h2-10,15H,11-14H2,1H3/p+1