1-[(5-bromanylthiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-[(5-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=C(S2)Br

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C11H17BrN2S/c1-13-5-2-6-14(8-7-13)9-10-3-4-11(12)15-10/h3-4H,2,5-9H2,1H3/p+2