3-(4-chlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one perchlorate

Systemtic Name: 3-(4-chlorophenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one perchlorate Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one perchlorate CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one perchlorate IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one perchlorate Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone perchlorate Formula: C21H21Cl2NO7 MolecularWeight: 470.29994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H20ClNO3.ClHO4/c22-15-6-4-14(5-7-15)18-13-26-21-16(20(18)25)8-9-19(24)17(21)12-23-10-2-1-3-11-23;2-1(3,4)5/h4-9,13,24H,1-3,10-12H2;(H,2,3,4,5)