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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-keto-8-methyl-chromen-7-olate Formula: C28H28N2O3 MolecularWeight: 440.53352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

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