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

Systemtic Name: 6-chloranyl-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-6-chloro-2-keto-chromen-7-olate Formula: C17H19ClN2O5 MolecularWeight: 366.79616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-]

InChI

InChI=1S/C17H19ClN2O5/c1-2-24-17(23)20-5-3-19(4-6-20)10-11-7-16(22)25-15-9-14(21)13(18)8-12(11)15/h7-9,21H,2-6,10H2,1H3