6-chloranyl-3,4-dimethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-3,4-dimethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-3,4-dimethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-3,4-dimethyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-3,4-dimethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-2-keto-3,4-dimethyl-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:

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

Isomeric SMILES

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

InChI

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