1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(2-chlorophenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-chlorobenzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C21H21ClN7+ MolecularWeight: 406.89134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5Cl

InChI

InChI=1S/C21H20ClN7/c22-18-6-2-1-5-16(18)14-29-21-17(13-26-29)20(24-15-25-21)28-11-9-27(10-12-28)19-7-3-4-8-23-19/h1-8,13,15H,9-12,14H2/p+1