1-(2-chloranyl-7H-purin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)isonipecotamide Formula: C18H27ClN7O2+ MolecularWeight: 408.90568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H26ClN7O2/c19-18-23-15-14(21-12-22-15)16(24-18)26-6-2-13(3-7-26)17(27)20-4-1-5-25-8-10-28-11-9-25/h12-13H,1-11H2,(H,20,27)(H,21,22,23,24)/p+1