2-ethyl-6-methyl-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-4-oxidanylidene-1-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-ethyl-6-methyl-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-4-oxidanylidene-1-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-ethyl-6-methyl-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-4-oxo-1-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 2-ethyl-6-methyl-N-[[1-(4-morpholin-4-iumyl)cycloheptyl]methyl]-4-oxo-1-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-ethyl-6-methyl-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-4-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-ethyl-4-keto-6-methyl-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-(2-thenyl)nicotinamide Formula: C26H38N3O3S+ MolecularWeight: 472.66322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=CS2)C)C(=O)NCC3(CCCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=CS2)C)C(=O)NCC3(CCCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C26H37N3O3S/c1-3-22-24(23(30)17-20(2)29(22)18-21-9-8-16-33-21)25(31)27-19-26(10-6-4-5-7-11-26)28-12-14-32-15-13-28/h8-9,16-17H,3-7,10-15,18-19H2,1-2H3,(H,27,31)/p+1