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

Systemtic Name: 3-[[(3S)-1-(2-chloranyl-7H-purin-6-yl)piperidin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3S)-1-(2-chloro-7H-purin-6-yl)-3-piperidinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(2-chloro-7H-purin-6-yl)nipecotoyl]amino]propyl-dimethyl-ammonium Formula: C16H25ClN7O+ MolecularWeight: 366.869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN7O/c1-23(2)7-4-6-18-15(25)11-5-3-8-24(9-11)14-12-13(20-10-19-12)21-16(17)22-14/h10-11H,3-9H2,1-2H3,(H,18,25)(H,19,20,21,22)/p+1/t11-/m0/s1