4-bromanyl-N-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]aniline

Systemtic Name: 4-bromanyl-N-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]aniline Openeye Name: N-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-4-bromo-aniline CAS Name: 4-bromo-N-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]aniline IUPAC Name: N-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-4-bromoaniline Traditional Name: (3-benzyl-1H-imidazol-3-ium-2-yl)methyl-(4-bromophenyl)amine Formula: C17H17BrN3+ MolecularWeight: 343.24098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CNC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3/c18-15-6-8-16(9-7-15)20-12-17-19-10-11-21(17)13-14-4-2-1-3-5-14/h1-11,20H,12-13H2/p+1