2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-chromone Formula: C20H20BrN2O3S+ MolecularWeight: 448.3534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H19BrN2O3S/c1-13-2-4-17-15(10-13)16(24)11-18(26-17)20(25)23-8-6-22(7-9-23)12-14-3-5-19(21)27-14/h2-5,10-11H,6-9,12H2,1H3/p+1