2-(6-methyl-1H-benzimidazol-3-ium-2-yl)-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(6-methyl-1H-benzimidazol-3-ium-2-yl)-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(6-methyl-1H-benzimidazol-3-ium-2-yl)-3-[4-(2-morpholino-2-oxo-ethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(6-methyl-1H-benzimidazol-3-ium-2-yl)-3-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(6-methyl-1H-benzimidazol-3-ium-2-yl)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enenitrile Traditional Name: 3-[4-(2-keto-2-morpholino-ethoxy)phenyl]-2-(6-methyl-1H-benzimidazol-3-ium-2-yl)acrylonitrile Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)C(=CC3=CC=C(C=C3)OCC(=O)N4CCOCC4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)C(=CC3=CC=C(C=C3)OCC(=O)N4CCOCC4)C#N

InChI

InChI=1S/C23H22N4O3/c1-16-2-7-20-21(12-16)26-23(25-20)18(14-24)13-17-3-5-19(6-4-17)30-15-22(28)27-8-10-29-11-9-27/h2-7,12-13H,8-11,15H2,1H3,(H,25,26)/p+1