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

Systemtic Name: (4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H21ClN5O+ MolecularWeight: 370.85594

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O/c1-13-16-17(20)15(19(26)24-10-8-23(2)9-11-24)12-21-18(16)25(22-13)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/p+1