3-(4-bromophenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-bromophenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-bromophenyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H20BrNO3 MolecularWeight: 414.2924

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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)Br)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO3/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/h4-9,13,24H,1-3,10-12H2