benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene

Systemtic Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene Openeye Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-morpholinophenyl)diazene CAS Name: benzenesulfonate; (1,3-dimethyl-2-benzimidazol-3-iumyl)-[4-(4-morpholinyl)phenyl]diazene IUPAC Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene Traditional Name: (1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-morpholinophenyl)diazene besylate Formula: C25H27N5O4S MolecularWeight: 493.57798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCOCC4)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1N=NC3=CC=C(C=C3)N4CCOCC4)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H22N5O.C6H6O3S/c1-22-17-5-3-4-6-18(17)23(2)19(22)21-20-15-7-9-16(10-8-15)24-11-13-25-14-12-24;7-10(8,9)6-4-2-1-3-5-6/h3-10H,11-14H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1