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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(4-tert-butylbenzyl)pyridin-1-ium-3-carboxamide chloride Formula: C17H21ClN2O MolecularWeight: 304.81444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O.ClH/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);1H