6-oxidanyl-7-phenyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-oxidanyl-7-phenyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-hydroxy-7-phenyl-chromen-2-one CAS Name: 6-hydroxy-7-phenyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-hydroxy-7-phenylchromen-2-one Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-hydroxy-7-phenyl-coumarin Formula: C27H27N2O3+ MolecularWeight: 427.51488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c30-25-16-24-22(15-27(31)32-26(24)17-23(25)21-9-5-2-6-10-21)19-29-13-11-28(12-14-29)18-20-7-3-1-4-8-20/h1-10,15-17,30H,11-14,18-19H2/p+1