[(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-(2-chloro-7H-purin-6-yl)piperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H23ClN7O+ MolecularWeight: 364.85312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H22ClN7O/c1-22-5-7-23(8-6-22)15(25)11-3-2-4-24(9-11)14-12-13(19-10-18-12)20-16(17)21-14/h10-11H,2-9H2,1H3,(H,18,19,20,21)/p+1/t11-/m0/s1