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

Systemtic Name: 8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-phenyl-chromen-2-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-phenyl-chromen-2-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-phenylchromen-2-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-phenyl-coumarin Formula: C21H24N2O3+2 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N2O3/c1-22-9-11-23(12-10-22)14-18-19(24)8-7-16-13-17(21(25)26-20(16)18)15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3/p+2