N-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanylidene-4-phenyl-isochromene-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanylidene-4-phenyl-isochromene-3-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-oxo-4-phenyl-isochromene-3-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-1-oxo-4-phenyl-2-benzopyran-3-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-oxo-4-phenylisochromene-3-carboxamide Traditional Name: 1-keto-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-isochromene-3-carboxamide Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c26-22(24-11-6-12-25-13-15-28-16-14-25)21-20(17-7-2-1-3-8-17)18-9-4-5-10-19(18)23(27)29-21/h1-5,7-10H,6,11-16H2,(H,24,26)/p+1