3-(morpholin-4-ium-4-ylmethyl)-5-nitro-1-phenyl-benzimidazole-2-thione

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)-5-nitro-1-phenyl-benzimidazole-2-thione Openeye Name: 3-(morpholin-4-ium-4-ylmethyl)-5-nitro-1-phenyl-benzimidazole-2-thione CAS Name: 3-(4-morpholin-4-iumylmethyl)-5-nitro-1-phenyl-2-benzimidazolethione IUPAC Name: 3-(morpholin-4-ium-4-ylmethyl)-5-nitro-1-phenylbenzimidazole-2-thione Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)-5-nitro-1-phenyl-benzimidazole-2-thione Formula: C18H19N4O3S+ MolecularWeight: 371.43346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O3S/c23-22(24)15-6-7-16-17(12-15)20(13-19-8-10-25-11-9-19)18(26)21(16)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1