(3aR,7aR)-N-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-carboxamide

Systemtic Name: (3aR,7aR)-N-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-carboxamide Openeye Name: (3aR,7aR)-N-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-carboxamide CAS Name: (3aR,7aR)-N-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-carboxamide IUPAC Name: (3aR,7aR)-N-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-carboxamide Traditional Name: (3aR,7aR)-N-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-carboxamide Formula: C14H18N3O+ MolecularWeight: 244.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=[NH+]2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]2[C@@H](C1)NC(=[NH+]2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C14H17N3O/c18-14(15-10-6-2-1-3-7-10)13-16-11-8-4-5-9-12(11)17-13/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,18)(H,16,17)/p+1/t11-,12-/m1/s1