3-bromanyl-N-[4-(2-butyl-6-phenyl-phenyl)-4-methyl-5-phenyl-2H-1,2,3,4-tetrazol-4-ium-3-yl]propanamide

Systemtic Name: 3-bromanyl-N-[4-(2-butyl-6-phenyl-phenyl)-4-methyl-5-phenyl-2H-1,2,3,4-tetrazol-4-ium-3-yl]propanamide Openeye Name: 3-bromo-N-[4-(2-butyl-6-phenyl-phenyl)-4-methyl-5-phenyl-2H-tetrazol-4-ium-3-yl]propanamide CAS Name: 3-bromo-N-[4-(2-butyl-6-phenylphenyl)-4-methyl-5-phenyl-2H-tetrazol-4-ium-3-yl]propanamide IUPAC Name: 3-bromo-N-[4-(2-butyl-6-phenylphenyl)-4-methyl-5-phenyl-2H-tetrazol-4-ium-3-yl]propanamide Traditional Name: 3-bromo-N-[4-(2-butyl-6-phenyl-phenyl)-4-methyl-5-phenyl-2H-tetrazol-4-ium-3-yl]propionamide Formula: C27H31BrN5O+ MolecularWeight: 521.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1[N+]2(C(=NNN2NC(=O)CCBr)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=CC(=C1[N+]2(C(=NNN2NC(=O)CCBr)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H30BrN5O/c1-3-4-12-22-17-11-18-24(21-13-7-5-8-14-21)26(22)33(2)27(23-15-9-6-10-16-23)29-31-32(33)30-25(34)19-20-28/h5-11,13-18,31H,3-4,12,19-20H2,1-2H3/p+1