(4-bromanylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-bromanylthiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-bromo-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-bromo-2-thiophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-bromothiophen-2-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-bromo-2-thienyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C11H16BrN2OS+ MolecularWeight: 304.22654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=CS2)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=CS2)Br

InChI

InChI=1S/C11H15BrN2OS/c1-13-3-2-4-14(6-5-13)11(15)10-7-9(12)8-16-10/h7-8H,2-6H2,1H3/p+1