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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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