(4-bromanylthiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanylthiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-2-thienyl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-2-thiophenyl)-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromothiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-2-thienyl)-(4-m-anisylpiperazin-4-ium-1-yl)methanone Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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