5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(2-hydroxy-5-methoxy-benzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(2-hydroxy-5-methoxybenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(2-hydroxy-5-methoxy-benzoyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)nicotinonitrile Formula: C20H22N3O5+ MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H21N3O5/c1-27-16-2-3-18(24)17(11-16)19(25)15-10-14(12-21)20(26)23(13-15)5-4-22-6-8-28-9-7-22/h2-3,10-11,13,24H,4-9H2,1H3/p+1