N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-1H-pyridine-3-carboxamide Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C18H21N3O3/c22-17-6-5-16(12-19-17)18(23)20-11-14-1-3-15(4-2-14)13-21-7-9-24-10-8-21/h1-6,12H,7-11,13H2,(H,19,22)(H,20,23)/p+1