8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-methyl-7-oxidanyl-3-phenyl-chromen-2-one

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-methyl-7-oxidanyl-3-phenyl-chromen-2-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-methyl-3-phenyl-chromen-2-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-4-methyl-3-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-methyl-3-phenylchromen-2-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-4-methyl-3-phenyl-coumarin Formula: C23H28N2O4+2 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)CCO)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CC[NH+](CC3)CCO)O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-16-18-7-8-20(27)19(15-25-11-9-24(10-12-25)13-14-26)22(18)29-23(28)21(16)17-5-3-2-4-6-17/h2-8,26-27H,9-15H2,1H3/p+2