1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-oxidanidyl-N-(pyren-1-ylmethyl)imidazol-3-ium-4-carboxamide

Systemtic Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-oxidanidyl-N-(pyren-1-ylmethyl)imidazol-3-ium-4-carboxamide Openeye Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-oxido-N-(pyren-1-ylmethyl)imidazol-3-ium-4-carboxamide CAS Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-oxido-N-(1-pyrenylmethyl)-4-imidazol-3-iumcarboxamide IUPAC Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-oxido-N-(pyren-1-ylmethyl)imidazol-3-ium-4-carboxamide Traditional Name: 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-oxido-N-(pyren-1-ylmethyl)-3-imidazolin-3-ium-4-carboxamide Formula: C25H24N3O3 MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C(N1[O])(C)C)[O-])C(=O)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C

Isomeric SMILES

CC1(C(=[N+](C(N1[O])(C)C)[O-])C(=O)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C

InChI

InChI=1S/C25H24N3O3/c1-24(2)22(27(30)25(3,4)28(24)31)23(29)26-14-18-11-10-17-9-8-15-6-5-7-16-12-13-19(18)21(17)20(15)16/h5-13H,14H2,1-4H3,(H,26,29)