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

Systemtic Name: 6-chloranyl-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-keto-4-methyl-chromen-7-olate Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C

InChI

InChI=1S/C17H21ClN2O3/c1-3-19-4-6-20(7-5-19)10-13-16(22)14(18)9-12-11(2)8-15(21)23-17(12)13/h8-9,22H,3-7,10H2,1-2H3