(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-furyl)phenyl]-1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-furanyl)phenyl]-1-[(4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-furyl)phenyl]-1-[(4-ketochromen-3-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C26H25N2O4+ MolecularWeight: 429.4877

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)C(=O)NC4=CC=C(C=C4)C5=CC=CO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)C(=O)NC4=CC=C(C=C4)C5=CC=CO5

InChI

InChI=1S/C26H24N2O4/c29-25-20(17-32-24-7-2-1-6-22(24)25)16-28-13-3-5-19(15-28)26(30)27-21-11-9-18(10-12-21)23-8-4-14-31-23/h1-2,4,6-12,14,17,19H,3,5,13,15-16H2,(H,27,30)/p+1/t19-/m0/s1