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

Systemtic Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Openeye Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxo-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-N-[2-(2-pyridinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxo-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Traditional Name: 4-keto-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-N-[2-(2-pyridyl)ethyl]nicotinamide Formula: C28H35N4O4+ MolecularWeight: 491.6019

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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)NCCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C28H34N4O4/c1-21-6-8-24(9-7-21)36-20-25-27(28(34)30-12-10-23-5-3-4-11-29-23)26(33)19-22(2)32(25)14-13-31-15-17-35-18-16-31/h3-9,11,19H,10,12-18,20H2,1-2H3,(H,30,34)/p+1