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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C18H26ClN7O2/c19-18-23-15-14(21-12-22-15)16(24-18)26-6-1-3-13(11-26)17(27)20-4-2-5-25-7-9-28-10-8-25/h12-13H,1-11H2,(H,20,27)(H,21,22,23,24)/p+1/t13-/m1/s1