5,7-dimethyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride

Systemtic Name: 5,7-dimethyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-chromen-2-one dichloride CAS Name: 5,7-dimethyl-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one dichloride IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethylchromen-2-one dichloride Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-coumarin dichloride Formula: C23H28Cl2N2O2 MolecularWeight: 435.38662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C.[Cl-].[Cl-]

InChI

InChI=1S/C23H26N2O2.2ClH/c1-17-12-18(2)23-20(14-22(26)27-21(23)13-17)16-25-10-8-24(9-11-25)15-19-6-4-3-5-7-19;;/h3-7,12-14H,8-11,15-16H2,1-2H3;2*1H