8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-6-propyl-chromen-2-one

Systemtic Name: 8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-6-propyl-chromen-2-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-6-propyl-chromen-2-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-phenyl-6-propyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-6-propylchromen-2-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-6-propyl-coumarin Formula: C24H30N2O3+2 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C)O

InChI

InChI=1S/C24H28N2O3/c1-3-7-18-14-20-19(17-8-5-4-6-9-17)15-22(27)29-24(20)21(23(18)28)16-26-12-10-25(2)11-13-26/h4-6,8-9,14-15,28H,3,7,10-13,16H2,1-2H3/p+2