7-methyl-2-oxidanylidene-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-5-olate

Systemtic Name: 7-methyl-2-oxidanylidene-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-5-olate Openeye Name: 7-methyl-2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-5-olate CAS Name: 7-methyl-2-oxo-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-5-olate IUPAC Name: 7-methyl-2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-5-olate Traditional Name: 2-keto-7-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-5-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H22N2O3/c1-15-11-18(24)21-16(13-20(25)26-19(21)12-15)14-22-7-9-23(10-8-22)17-5-3-2-4-6-17/h2-6,11-13,24H,7-10,14H2,1H3