N-(3-bromophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(3-bromophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C13H19BrN3S+ MolecularWeight: 329.27906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H18BrN3S/c1-16-6-3-7-17(9-8-16)13(18)15-12-5-2-4-11(14)10-12/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)/p+1