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

Systemtic Name: 8-methyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-7-olate Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 8-methyl-2-oxo-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-7-olate IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-keto-8-methyl-chromen-7-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H24N2O3/c1-16-20(25)8-7-19-18(13-21(26)27-22(16)19)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13,25H,9-12,14-15H2,1H3