N-phenyl-4-(2,3,3-trimethylindol-1-ium-1-yl)butanamide bromide

Systemtic Name: N-phenyl-4-(2,3,3-trimethylindol-1-ium-1-yl)butanamide bromide Openeye Name: N-phenyl-4-(2,3,3-trimethylindol-1-ium-1-yl)butanamide bromide CAS Name: N-phenyl-4-(2,3,3-trimethyl-1-indol-1-iumyl)butanamide bromide IUPAC Name: N-phenyl-4-(2,3,3-trimethylindol-1-ium-1-yl)butanamide bromide Traditional Name: N-phenyl-4-(2,3,3-trimethylindol-1-ium-1-yl)butyramide bromide Formula: C21H25BrN2O MolecularWeight: 401.34

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCC(=O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCC(=O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H24N2O.BrH/c1-16-21(2,3)18-12-7-8-13-19(18)23(16)15-9-14-20(24)22-17-10-5-4-6-11-17;/h4-8,10-13H,9,14-15H2,1-3H3;1H