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

Systemtic Name: 6-ethyl-4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-ethyl-4-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 6-ethyl-4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-keto-chromen-7-olate Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC)[O-]

InChI

InChI=1S/C18H24N2O3/c1-3-13-9-15-14(10-18(22)23-17(15)11-16(13)21)12-20-7-5-19(4-2)6-8-20/h9-11,21H,3-8,12H2,1-2H3