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

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6-propan-2-yl-chromen-2-one dichloride Openeye Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6-isopropyl-chromen-2-one dichloride CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one dichloride IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6-propan-2-ylchromen-2-one dichloride Traditional Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6-isopropyl-coumarin dichloride Formula: C19H28Cl2N2O3 MolecularWeight: 403.34322

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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)CCO.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3.2ClH/c1-14(2)15-3-4-18-17(11-15)16(12-19(23)24-18)13-21-7-5-20(6-8-21)9-10-22;;/h3-4,11-12,14,22H,5-10,13H2,1-2H3;2*1H