4-[[4-(3-chlorophenyl)piperazine-1,4-diium-1-yl]methyl]-6-propan-2-yl-chromen-2-one dichloride

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazine-1,4-diium-1-yl]methyl]-6-propan-2-yl-chromen-2-one dichloride Openeye Name: 4-[[4-(3-chlorophenyl)piperazine-1,4-diium-1-yl]methyl]-6-isopropyl-chromen-2-one dichloride CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazine-1,4-diiumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one dichloride IUPAC Name: 4-[[4-(3-chlorophenyl)piperazine-1,4-diium-1-yl]methyl]-6-propan-2-ylchromen-2-one dichloride Traditional Name: 4-[[4-(3-chlorophenyl)piperazine-1,4-diium-1-yl]methyl]-6-isopropyl-coumarin dichloride Formula: C23H27Cl3N2O2 MolecularWeight: 469.83168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2.2ClH/c1-16(2)17-6-7-22-21(12-17)18(13-23(27)28-22)15-25-8-10-26(11-9-25)20-5-3-4-19(24)14-20;;/h3-7,12-14,16H,8-11,15H2,1-2H3;2*1H