1-[(2-oxidanylidenebenzo[h]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2-oxidanylidenebenzo[h]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-oxobenzo[h]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-oxo-4-benzo[h][1]benzopyranyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-oxobenzo[h]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-ketobenzo[h]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43

InChI

InChI=1S/C20H19NO4/c22-18-11-15(12-21-9-7-14(8-10-21)20(23)24)17-6-5-13-3-1-2-4-16(13)19(17)25-18/h1-6,11,14H,7-10,12H2,(H,23,24)