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

Systemtic Name: 4-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-ethyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 4-ethyl-2-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-]

InChI

InChI=1S/C17H22N2O3/c1-3-12-10-16(21)22-17-13(12)4-5-15(20)14(17)11-19-8-6-18(2)7-9-19/h4-5,10,20H,3,6-9,11H2,1-2H3