(7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxidanidyl-4,5,6,7-tetrahydrobenzimidazol-1-ium

Systemtic Name: (7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxidanidyl-4,5,6,7-tetrahydrobenzimidazol-1-ium Openeye Name: (7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium CAS Name: (7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium IUPAC Name: (7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium Traditional Name: (7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCCC1=NC(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@]12CCCCC1=NC(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-14-9-3-2-4-12(14)15-13(16(14)18)10-5-7-11(8-6-10)17(19)20/h5-8H,2-4,9H2,1H3/t14-/m0/s1