6-methyl-2-[(4-methylphenoxy)methyl]-N-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 6-methyl-2-[(4-methylphenoxy)methyl]-N-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-isobutyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxo-pyridine-3-carboxamide CAS Name: 6-methyl-2-[(4-methylphenoxy)methyl]-N-(2-methylpropyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 6-methyl-2-[(4-methylphenoxy)methyl]-N-(2-methylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxopyridine-3-carboxamide Traditional Name: N-isobutyl-4-keto-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)nicotinamide Formula: C25H36N3O4+ MolecularWeight: 442.57104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)NCC(C)C

InChI

InChI=1S/C25H35N3O4/c1-18(2)16-26-25(30)24-22(17-32-21-7-5-19(3)6-8-21)28(20(4)15-23(24)29)10-9-27-11-13-31-14-12-27/h5-8,15,18H,9-14,16-17H2,1-4H3,(H,26,30)/p+1