(3-bromanyl-4-methoxy-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C19H20BrN4O3S+ MolecularWeight: 464.3561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)Br

InChI

InChI=1S/C19H19BrN4O3S/c1-26-15-5-4-13(11-14(15)20)19(25)24-8-6-23(7-9-24)12-17-21-18(22-27-17)16-3-2-10-28-16/h2-5,10-11H,6-9,12H2,1H3/p+1