1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(4-tert-butylbenzyl)pyridin-1-ium-3-carboxamide Formula: C17H21N2O+ MolecularWeight: 269.36144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O/c1-17(2,3)15-8-6-13(7-9-15)11-19-10-4-5-14(12-19)16(18)20/h4-10,12H,11H2,1-3H3,(H-,18,20)/p+1