4-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[1-[(2,5-dimethylphenyl)methyl]-2-benzimidazolyl]methyl]morpholin-4-ium IUPAC Name: 4-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[1-(2,5-dimethylbenzyl)benzimidazol-2-yl]methyl]morpholin-4-ium Formula: C21H26N3O+ MolecularWeight: 336.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3N=C2C[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O/c1-16-7-8-17(2)18(13-16)14-24-20-6-4-3-5-19(20)22-21(24)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3/p+1