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

Systemtic Name: 1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(7-methoxy-2-oxochromen-4-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-keto-7-methoxy-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-28-19-7-8-20-17(13-22(26)29-21(20)14-19)15-25-11-9-16(10-12-25)23(27)24-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,24,27)/p+1