[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C24H25N6OS+ MolecularWeight: 445.5599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6OS/c1-18-26-20(17-32-18)15-28-10-12-29(13-11-28)24(31)22-16-30(21-7-3-2-4-8-21)27-23(22)19-6-5-9-25-14-19/h2-9,14,16-17H,10-13,15H2,1H3/p+1