3-(4-bromophenyl)-1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazin-1-ium bromide

Systemtic Name: 3-(4-bromophenyl)-1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazin-1-ium bromide Openeye Name: 3-(4-bromophenyl)-1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazin-1-ium bromide CAS Name: 3-(4-bromophenyl)-1-ethyl-5-(1-pyrrolidinyl)-1,2,4-triazin-1-ium bromide IUPAC Name: 3-(4-bromophenyl)-1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazin-1-ium bromide Traditional Name: 3-(4-bromophenyl)-1-ethyl-5-pyrrolidino-1,2,4-triazin-1-ium bromide Formula: C15H18Br2N4 MolecularWeight: 414.13822

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC(=NC(=C1)N2CCCC2)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

CC[N+]1=NC(=NC(=C1)N2CCCC2)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C15H18BrN4.BrH/c1-2-20-11-14(19-9-3-4-10-19)17-15(18-20)12-5-7-13(16)8-6-12;/h5-8,11H,2-4,9-10H2,1H3;1H/q+1;/p-1