4-tert-butyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzamide CAS Name: 4-tert-butyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(1H-imidazol-3-ium-3-yl)propyl]benzamide Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC[N+]2=CNC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC[N+]2=CNC=C2

InChI

InChI=1S/C17H23N3O/c1-17(2,3)15-7-5-14(6-8-15)16(21)19-9-4-11-20-12-10-18-13-20/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,19,21)/p+1