(2-bromanyl-3-carbamimidoylsulfanyl-propyl)-dimethyl-(phenylmethyl)azanium

Systemtic Name: (2-bromanyl-3-carbamimidoylsulfanyl-propyl)-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-(2-bromo-3-carbamimidoylsulfanyl-propyl)-dimethyl-ammonium CAS Name: [2-bromo-3-(carbamimidoylthio)propyl]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-bromo-3-carbamimidoylsulfanylpropyl)-dimethylazanium Traditional Name: [3-(amidinothio)-2-bromo-propyl]-benzyl-dimethyl-ammonium Formula: C13H21BrN3S+ MolecularWeight: 331.29494

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1)CC(CSC(=N)N)Br

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1)CC(CSC(=N)N)Br

InChI

InChI=1S/C13H21BrN3S/c1-17(2,8-11-6-4-3-5-7-11)9-12(14)10-18-13(15)16/h3-7,12H,8-10H2,1-2H3,(H3,15,16)/q+1