1-pteridin-4-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-pteridin-4-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-pteridin-4-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(4-pteridinyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-pteridin-4-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-pteridin-4-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C21H32N7O+ MolecularWeight: 398.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)C3=NC=NC4=NC=CN=C43)C

InChI

InChI=1S/C21H31N7O/c1-20(2)11-15(12-21(3,4)27-20)26-19(29)14-5-9-28(10-6-14)18-16-17(24-13-25-18)23-8-7-22-16/h7-8,13-15,27H,5-6,9-12H2,1-4H3,(H,26,29)/p+1