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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-5-olate Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxo-chromen-5-olate CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7-methyl-2-oxo-1-benzopyran-5-olate IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxochromen-5-olate Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-keto-7-methyl-chromen-5-olate Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H28N2O3/c1-20-16-24(31)27-23(18-26(32)33-25(27)17-20)19-29-12-14-30(15-13-29)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-18,28,31H,12-15,19H2,1H3