N-(2-adamantylmethyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-(2-adamantylmethyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(2-adamantylmethyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(2-adamantylmethyl)-6-(1-azepan-1-iumylmethyl)-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(2-adamantylmethyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-(2-adamantylmethyl)-6-(azepan-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+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H35N3O2/c28-23(25-14-22-18-10-16-9-17(12-18)13-19(22)11-16)21-6-5-20(26-24(21)29)15-27-7-3-1-2-4-8-27/h5-6,16-19,22H,1-4,7-15H2,(H,25,28)(H,26,29)/p+1