6-chloranyl-7-methyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C23H27ClN2O3+2 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN2O3/c1-17-13-22-20(15-21(17)24)18(14-23(27)29-22)16-26-9-7-25(8-10-26)11-12-28-19-5-3-2-4-6-19/h2-6,13-15H,7-12,16H2,1H3/p+2