6-ethyl-4-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one dichloride

Systemtic Name: 6-ethyl-4-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one dichloride Openeye Name: 6-ethyl-4-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one dichloride CAS Name: 6-ethyl-4-[(4-phenyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one dichloride IUPAC Name: 6-ethyl-4-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one dichloride Traditional Name: 6-ethyl-4-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]coumarin dichloride Formula: C22H26Cl2N2O2 MolecularWeight: 421.36004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C22H24N2O2.2ClH/c1-2-17-8-9-21-20(14-17)18(15-22(25)26-21)16-23-10-12-24(13-11-23)19-6-4-3-5-7-19;;/h3-9,14-15H,2,10-13,16H2,1H3;2*1H