4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7,8-dihydroxy-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7,8-dihydroxychromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7,8-dihydroxy-coumarin Formula: C27H27N2O4+ MolecularWeight: 443.51428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c30-23-12-11-22-21(17-24(31)33-27(22)26(23)32)18-28-13-15-29(16-14-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25,30,32H,13-16,18H2/p+1