1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-oxobenzo[f]chromen-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-oxobenzo[f]chromen-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-ketobenzo[f]chromen-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H24N2O3/c29-24-16-20(25-22-9-5-4-6-18(22)10-11-23(25)31-24)17-28-14-12-19(13-15-28)26(30)27-21-7-2-1-3-8-21/h1-11,16,19H,12-15,17H2,(H,27,30)/p+1