N-(1-adamantyl)-6-(azocan-1-ium-1-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-6-(azocan-1-ium-1-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(1-adamantyl)-6-(azocan-1-ium-1-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(1-adamantyl)-6-(1-azocan-1-iumylmethyl)-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(1-adamantyl)-6-(azocan-1-ium-1-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-(1-adamantyl)-6-(azocan-1-ium-1-ylmethyl)-2-keto-1H-pyridine-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O2/c28-22-21(7-6-20(25-22)16-27-8-4-2-1-3-5-9-27)23(29)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h6-7,17-19H,1-5,8-16H2,(H,25,28)(H,26,29)/p+1