4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-coumarin Formula: C20H23ClN2O3S+2 MolecularWeight: 406.92622

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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=C(S4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-25-15-2-4-17-14(10-20(24)26-18(17)11-15)12-22-6-8-23(9-7-22)13-16-3-5-19(21)27-16/h2-5,10-11H,6-9,12-13H2,1H3/p+2