6-chloranyl-2-oxidanylidene-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-7-olate

Systemtic Name: 6-chloranyl-2-oxidanylidene-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Openeye Name: 6-chloro-2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-7-olate CAS Name: 6-chloro-2-oxo-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Traditional Name: 6-chloro-2-keto-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN2O3/c21-17-11-16-14(10-20(25)26-19(16)12-18(17)24)13-22-6-8-23(9-7-22)15-4-2-1-3-5-15/h1-5,10-12,24H,6-9,13H2