3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4,7-dimethyl-5-oxidanyl-chromen-2-one

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4,7-dimethyl-5-oxidanyl-chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-hydroxy-4,7-dimethyl-chromen-2-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-5-hydroxy-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-5-hydroxy-4,7-dimethylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5-hydroxy-4,7-dimethyl-coumarin Formula: C30H31N2O4+ MolecularWeight: 483.57814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C(=C1)O

InChI

InChI=1S/C30H30N2O4/c1-20-17-25(33)28-21(2)24(30(35)36-26(28)18-20)19-27(34)31-13-15-32(16-14-31)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-18,29,33H,13-16,19H2,1-2H3/p+1