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

Systemtic Name: 7-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-6-olate Openeye Name: 7-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-6-olate CAS Name: 7-methyl-4-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-6-olate IUPAC Name: 7-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-6-olate Traditional Name: 2-keto-7-methyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-6-olate Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C)[O-]

InChI

InChI=1S/C16H20N2O3/c1-11-7-15-13(9-14(11)19)12(8-16(20)21-15)10-18-5-3-17(2)4-6-18/h7-9,19H,3-6,10H2,1-2H3