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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30BrN5O/c1-4-5-13-22-18-12-19-24(21-14-8-6-9-15-21)25(22)33(3)26(23-16-10-7-11-17-23)29-31-32(33)30-27(34)20(2)28/h6-12,14-20,31H,4-5,13H2,1-3H3/p+1