[1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H24ClN8O+ MolecularWeight: 427.91056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C20H23ClN8O/c21-20-25-17-16(23-13-24-17)18(26-20)28-7-4-14(5-8-28)19(30)29-11-9-27(10-12-29)15-3-1-2-6-22-15/h1-3,6,13-14H,4-5,7-12H2,(H,23,24,25,26)/p+1