4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-2-keto-8-methyl-chromen-7-olate Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)[O-]

InChI

InChI=1S/C18H22N2O5/c1-3-24-18(23)20-8-6-19(7-9-20)11-13-10-16(22)25-17-12(2)15(21)5-4-14(13)17/h4-5,10,21H,3,6-9,11H2,1-2H3