N-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-yl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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