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

Systemtic Name: N-cyclooctyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-cyclooctyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxo-pyridine-3-carboxamide CAS Name: N-cyclooctyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-cyclooctyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxopyridine-3-carboxamide Traditional Name: N-cyclooctyl-4-keto-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)nicotinamide Formula: C29H42N3O4+ MolecularWeight: 496.66148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C29H41N3O4/c1-22-10-12-25(13-11-22)36-21-26-28(29(34)30-24-8-6-4-3-5-7-9-24)27(33)20-23(2)32(26)15-14-31-16-18-35-19-17-31/h10-13,20,24H,3-9,14-19,21H2,1-2H3,(H,30,34)/p+1