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

Systemtic Name: 6-chloranyl-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-2-keto-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCN(CC3)C

InChI

InChI=1S/C16H19ClN2O3/c1-10-7-14(20)22-16-11(10)8-13(17)15(21)12(16)9-19-5-3-18(2)4-6-19/h7-8,21H,3-6,9H2,1-2H3