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

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-5,7-bis(oxidanyl)chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5,7-dihydroxy-4-methyl-chromen-2-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-5,7-dihydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-5,7-dihydroxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5,7-dihydroxy-4-methyl-coumarin Formula: C29H29N2O5+ MolecularWeight: 485.55096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O5/c1-19-23(29(35)36-25-17-22(32)16-24(33)27(19)25)18-26(34)30-12-14-31(15-13-30)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16-17,28,32-33H,12-15,18H2,1H3/p+1