(3R)-1-(2-chloranyl-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-(2-chloranyl-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]piperidine-3-carboxamide Openeye Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]piperidine-3-carboxamide CAS Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]piperidine-3-carboxamide Traditional Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]nipecotamide Formula: C18H27ClN7O+ MolecularWeight: 392.90628

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN7O/c1-2-25-7-4-6-13(25)9-20-17(27)12-5-3-8-26(10-12)16-14-15(22-11-21-14)23-18(19)24-16/h11-13H,2-10H2,1H3,(H,20,27)(H,21,22,23,24)/p+1/t12-,13+/m1/s1