1-[(4-bromanylthiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Formula: C11H19BrN2S+2 MolecularWeight: 291.25096

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=CS2)Br

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=CS2)Br

InChI

InChI=1S/C11H17BrN2S/c1-13-3-2-4-14(6-5-13)8-11-7-10(12)9-15-11/h7,9H,2-6,8H2,1H3/p+2