1-(2-chloranyl-7H-purin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C20H31ClN7O+ MolecularWeight: 420.95944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)C3=NC(=NC4=C3NC=N4)Cl)C

InChI

InChI=1S/C20H30ClN7O/c1-19(2)9-13(10-20(3,4)27-19)24-17(29)12-5-7-28(8-6-12)16-14-15(23-11-22-14)25-18(21)26-16/h11-13,27H,5-10H2,1-4H3,(H,24,29)(H,22,23,25,26)/p+1