N-(4-tert-butylphenyl)-2-ethyl-N-[(2-nitrophenyl)methyl]pyridin-1-ium-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-ethyl-N-[(2-nitrophenyl)methyl]pyridin-1-ium-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-ethyl-N-[(2-nitrophenyl)methyl]pyridin-1-ium-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-ethyl-N-[(2-nitrophenyl)methyl]-1-pyridin-1-iumcarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-ethyl-N-[(2-nitrophenyl)methyl]pyridin-1-ium-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-ethyl-N-(2-nitrobenzyl)pyridin-1-ium-1-carboxamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=[N+]1C(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=[N+]1C(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H28N3O3/c1-5-21-11-8-9-17-26(21)24(29)27(18-19-10-6-7-12-23(19)28(30)31)22-15-13-20(14-16-22)25(2,3)4/h6-17H,5,18H2,1-4H3/q+1