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

Systemtic Name: 6-chloranyl-4-[[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride Openeye Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride CAS Name: 6-chloro-4-[[4-(2-methoxyphenyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one dichloride IUPAC Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride Traditional Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]methyl]coumarin dichloride Formula: C21H23Cl3N2O3 MolecularWeight: 457.77792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)Cl.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC=CC=C1[NH+]2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C21H21ClN2O3.2ClH/c1-26-20-5-3-2-4-18(20)24-10-8-23(9-11-24)14-15-12-21(25)27-19-7-6-16(22)13-17(15)19;;/h2-7,12-13H,8-11,14H2,1H3;2*1H