4-(3-bromophenyl)-3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine

Systemtic Name: 4-(3-bromophenyl)-3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine Openeye Name: 4-(3-bromophenyl)-3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine CAS Name: 4-(3-bromophenyl)-3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(3-bromophenyl)-3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-imidazol-3-ium-2-amine Traditional Name: [4-(3-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]-(2,3,4-trimethoxybenzyl)amine Formula: C20H23BrN3O3+ MolecularWeight: 433.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1C2=CC(=CC=C2)Br)NCC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

C[N+]1=C(NC=C1C2=CC(=CC=C2)Br)NCC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C20H22BrN3O3/c1-24-16(13-6-5-7-15(21)10-13)12-23-20(24)22-11-14-8-9-17(25-2)19(27-4)18(14)26-3/h5-10,12H,11H2,1-4H3,(H,22,23)/p+1