4-[5,6-dimethyl-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]aniline

Systemtic Name: 4-[5,6-dimethyl-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]aniline Openeye Name: 4-[5,6-dimethyl-3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]aniline CAS Name: 4-[5,6-dimethyl-3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-yl]aniline IUPAC Name: 4-[5,6-dimethyl-3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]aniline Traditional Name: [4-[5,6-dimethyl-3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]phenyl]amine Formula: C21H27N4O+ MolecularWeight: 351.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)CCN4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(N2)C3=CC=C(C=C3)N)CCN4CCOCC4

InChI

InChI=1S/C21H26N4O/c1-15-13-19-20(14-16(15)2)25(8-7-24-9-11-26-12-10-24)21(23-19)17-3-5-18(22)6-4-17/h3-6,13-14H,7-12H2,1-2H3,(H2,22,23)/p+1