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

Systemtic Name: 7-ethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C24H30N2O3+2 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-2-19-8-9-22-20(17-24(27)29-23(22)16-19)18-26-12-10-25(11-13-26)14-15-28-21-6-4-3-5-7-21/h3-9,16-17H,2,10-15,18H2,1H3/p+2