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

Systemtic Name: 2-oxidanylidene-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-6-olate Openeye Name: 2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-6-olate CAS Name: 2-oxo-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-6-olate IUPAC Name: 2-oxo-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-6-olate Traditional Name: 2-keto-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-6-olate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3/c23-17-6-7-19-18(13-17)15(12-20(24)25-19)14-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14H2