N-[1-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonylphenyl]pyrazol-4-yl]ethanamide

Systemtic Name: N-[1-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonylphenyl]pyrazol-4-yl]ethanamide Openeye Name: N-[1-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]acetamide CAS Name: N-[1-[4-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]phenyl]-4-pyrazolyl]acetamide IUPAC Name: N-[1-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]acetamide Traditional Name: N-[1-[4-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]acetamide Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=C(C=N4)NC(=O)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=C(C=N4)NC(=O)C

InChI

InChI=1S/C22H24N6O2/c1-16-4-3-5-21(24-16)26-10-12-27(13-11-26)22(30)18-6-8-20(9-7-18)28-15-19(14-23-28)25-17(2)29/h3-9,14-15H,10-13H2,1-2H3,(H,25,29)/p+1