(3S)-1-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(7-hydroxy-2-oxochromen-4-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(7-hydroxy-2-keto-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c25-18-8-9-19-16(11-21(26)28-20(19)12-18)14-24-10-4-5-15(13-24)22(27)23-17-6-2-1-3-7-17/h1-3,6-9,11-12,15,25H,4-5,10,13-14H2,(H,23,27)/p+1/t15-/m0/s1