5-bromanyl-1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)butyl]indole

Systemtic Name: 5-bromanyl-1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)butyl]indole Openeye Name: 5-bromo-1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)butyl]indole CAS Name: 5-bromo-1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)butyl]indole IUPAC Name: 5-bromo-1-[(4-chlorophenyl)methyl]-3-[1-(1H-imidazol-3-ium-3-yl)butyl]indole Traditional Name: 5-bromo-1-(4-chlorobenzyl)-3-[1-(1H-imidazol-3-ium-3-yl)butyl]indole Formula: C22H22BrClN3+ MolecularWeight: 443.78718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=C(C=C3)Cl)[N+]4=CNC=C4

Isomeric SMILES

CCCC(C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=C(C=C3)Cl)[N+]4=CNC=C4

InChI

InChI=1S/C22H21BrClN3/c1-2-3-21(26-11-10-25-15-26)20-14-27(13-16-4-7-18(24)8-5-16)22-9-6-17(23)12-19(20)22/h4-12,14-15,21H,2-3,13H2,1H3/p+1