(E)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(2-morpholino-3-quinolyl)prop-2-enenitrile CAS Name: (E)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-[2-(4-morpholinyl)-3-quinolinyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-(2-morpholino-3-quinolyl)acrylonitrile Formula: C24H22N5O+ MolecularWeight: 396.46438

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)C(=CC3=CC4=CC=CC=C4N=C3N5CCOCC5)C#N

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)/C(=C/C3=CC4=CC=CC=C4N=C3N5CCOCC5)/C#N

InChI

InChI=1S/C24H21N5O/c1-28-22-9-5-4-8-21(22)27-23(28)19(16-25)15-18-14-17-6-2-3-7-20(17)26-24(18)29-10-12-30-13-11-29/h2-9,14-15H,10-13H2,1H3/p+1/b19-15+