[4-chloranyl-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-chloranyl-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-chloro-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-chloro-1-(3-methoxyphenyl)-3-methyl-5-pyrazolo[3,4-b]pyridinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-chloro-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H23ClN5O2+ MolecularWeight: 400.88192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CC[NH+](CC3)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CC[NH+](CC3)C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H22ClN5O2/c1-13-17-18(21)16(20(27)25-9-7-24(2)8-10-25)12-22-19(17)26(23-13)14-5-4-6-15(11-14)28-3/h4-6,11-12H,7-10H2,1-3H3/p+1