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

Systemtic Name: N-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-yl]-4-chloranyl-benzamide Openeye Name: N-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-yl]-4-chloro-benzamide CAS Name: N-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-yl]-4-chlorobenzamide IUPAC Name: N-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-yl]-4-chlorobenzamide Traditional Name: N-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium-2-yl]-4-chloro-benzamide Formula: C14H17ClN3O+ MolecularWeight: 278.75728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h5-8,11-12H,1-4H2,(H2,16,17,18,19)/p+1/t11-,12-/m1/s1