2-[[(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-(2-chloro-7H-purin-6-yl)nipecotoyl]amino]ethyl-dimethyl-ammonium Formula: C15H23ClN7O+ MolecularWeight: 352.84242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H]1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H22ClN7O/c1-22(2)7-5-17-14(24)10-4-3-6-23(8-10)13-11-12(19-9-18-11)20-15(16)21-13/h9-10H,3-8H2,1-2H3,(H,17,24)(H,18,19,20,21)/p+1/t10-/m0/s1