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

Systemtic Name: [1-(2-chloranyl-7H-purin-6-yl)piperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(2-chloro-7H-purin-6-yl)-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H23ClN7O+ MolecularWeight: 364.85312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H22ClN7O/c1-22-6-8-24(9-7-22)15(25)11-2-4-23(5-3-11)14-12-13(19-10-18-12)20-16(17)21-14/h10-11H,2-9H2,1H3,(H,18,19,20,21)/p+1