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

Systemtic Name: 2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-6-olate Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-6-olate CAS Name: 2-oxo-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-6-olate IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-6-olate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-keto-chromen-6-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3/c24-18-6-7-20-19(13-18)17(12-21(25)26-20)15-23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,24H,8-11,14-15H2