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

Systemtic Name: (3R)-1-(2-chloranyl-7H-purin-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide CAS Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide Traditional Name: (3R)-1-(2-chloro-7H-purin-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C17H25ClN7O2+ MolecularWeight: 394.8791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN7O2/c18-17-22-14-13(20-11-21-14)15(23-17)25-4-1-2-12(10-25)16(26)19-3-5-24-6-8-27-9-7-24/h11-12H,1-10H2,(H,19,26)(H,20,21,22,23)/p+1/t12-/m1/s1