(2R,7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxidanyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium

Systemtic Name: (2R,7aS)-7a-methyl-2-(4-nitrophenyl)-1-oxidanyl-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium Openeye Name: (2R,7aS)-1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium CAS Name: (2R,7aS)-1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium IUPAC Name: (2R,7aS)-1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium Traditional Name: (2R,7aS)-1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazol-3-ium Formula: C14H18N3O3+ MolecularWeight: 276.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCCC1=[NH+]C(N2O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@]12CCCCC1=[NH+][C@H](N2O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-14-9-3-2-4-12(14)15-13(16(14)18)10-5-7-11(8-6-10)17(19)20/h5-8,13,18H,2-4,9H2,1H3/p+1/t13-,14+/m1/s1