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

Systemtic Name: 6-ethyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 6-ethyl-4-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 6-ethyl-2-keto-4-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-3-12-8-14-13(11-19-6-4-18(2)5-7-19)9-17(21)22-16(14)10-15(12)20/h8-10,20H,3-7,11H2,1-2H3