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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCN(CC3)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCN(CC3)C

InChI

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