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

Systemtic Name: 7-ethyl-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C21H26N2O2S+2 MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N2O2S/c1-2-16-5-6-19-17(13-21(24)25-20(19)12-16)14-22-7-9-23(10-8-22)15-18-4-3-11-26-18/h3-6,11-13H,2,7-10,14-15H2,1H3/p+2