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

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O2S/c1-22-15-5-4-14(18)11-13(15)12-19-6-8-20(9-7-19)17(21)16-3-2-10-23-16/h2-5,10-11H,6-9,12H2,1H3/p+1