6-(azepan-1-ium-1-ylmethyl)-N-(9H-fluoren-9-yl)-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-N-(9H-fluoren-9-yl)-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-N-(9H-fluoren-9-yl)-2-oxo-1H-pyridine-3-carboxamide CAS Name: 6-(1-azepan-1-iumylmethyl)-N-(9H-fluoren-9-yl)-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-N-(9H-fluoren-9-yl)-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-N-(9H-fluoren-9-yl)-2-keto-1H-pyridine-3-carboxamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C26H27N3O2/c30-25-23(14-13-18(27-25)17-29-15-7-1-2-8-16-29)26(31)28-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-14,24H,1-2,7-8,15-17H2,(H,27,30)(H,28,31)/p+1