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

Systemtic Name: N-(1-adamantyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(1-adamantyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(1-adamantyl)-6-(1-azepan-1-iumylmethyl)-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(1-adamantyl)-6-(azepan-1-ium-1-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-(1-adamantyl)-6-(azepan-1-ium-1-ylmethyl)-2-keto-1H-pyridine-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O2/c27-21-20(6-5-19(24-21)15-26-7-3-1-2-4-8-26)22(28)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h5-6,16-18H,1-4,7-15H2,(H,24,27)(H,25,28)/p+1