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

Systemtic Name: 7-methoxy-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C20H24N2O3S+2 MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N2O3S/c1-24-16-4-5-18-15(11-20(23)25-19(18)12-16)13-21-6-8-22(9-7-21)14-17-3-2-10-26-17/h2-5,10-12H,6-9,13-14H2,1H3/p+2