[(3aS,7aS)-2-azanyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-yl]-(4-chlorophenyl)methanone

Systemtic Name: [(3aS,7aS)-2-azanyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-yl]-(4-chlorophenyl)methanone Openeye Name: [(3aS,7aS)-2-amino-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-yl]-(4-chlorophenyl)methanone CAS Name: [(3aS,7aS)-2-amino-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-yl]-(4-chlorophenyl)methanone IUPAC Name: [(3aS,7aS)-2-amino-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-yl]-(4-chlorophenyl)methanone Traditional Name: [(3aS,7aS)-2-amino-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-ium-1-yl]-(4-chlorophenyl)methanone Formula: C14H17ClN3O+ MolecularWeight: 278.75728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O/c15-10-7-5-9(6-8-10)13(19)18-12-4-2-1-3-11(12)17-14(18)16/h5-8,11-12H,1-4H2,(H2,16,17)/p+1/t11-,12-/m0/s1