1-[(4-tert-butylphenyl)methyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(4-tert-butylphenyl)methyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(4-tert-butylphenyl)methyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-N,N-diethylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(4-tert-butylbenzyl)-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H29BrN2O MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C(C)(C)C.[Br-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C(C)(C)C.[Br-]

InChI

InChI=1S/C21H29N2O.BrH/c1-6-23(7-2)20(24)18-9-8-14-22(16-18)15-17-10-12-19(13-11-17)21(3,4)5;/h8-14,16H,6-7,15H2,1-5H3;1H/q+1;/p-1