6,8-bis(azepan-1-ium-1-ylmethyl)-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one

Systemtic Name: 6,8-bis(azepan-1-ium-1-ylmethyl)-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one Openeye Name: 6,8-bis(azepan-1-ium-1-ylmethyl)-5,7-dihydroxy-2-phenyl-chromen-4-one CAS Name: 6,8-bis(1-azepan-1-iumylmethyl)-5,7-dihydroxy-2-phenyl-1-benzopyran-4-one IUPAC Name: 6,8-bis(azepan-1-ium-1-ylmethyl)-5,7-dihydroxy-2-phenylchromen-4-one Traditional Name: 6,8-bis(azepan-1-ium-1-ylmethyl)-5,7-dihydroxy-2-phenyl-chromone Formula: C29H38N2O4+2 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C3=C(C(=C2O)C[NH+]4CCCCCC4)OC(=CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C3=C(C(=C2O)C[NH+]4CCCCCC4)OC(=CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H36N2O4/c32-24-18-25(21-12-6-5-7-13-21)35-29-23(20-31-16-10-3-4-11-17-31)27(33)22(28(34)26(24)29)19-30-14-8-1-2-9-15-30/h5-7,12-13,18,33-34H,1-4,8-11,14-17,19-20H2/p+2