1-(3-morpholin-4-ylpropylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-(3-morpholin-4-ylpropylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-isopropyl-1-(3-morpholinopropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[3-(4-morpholinyl)propylamino]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(3-morpholin-4-ylpropylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-isopropyl-1-(3-morpholinopropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCCN4CCOCC4

Isomeric SMILES

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCCN4CCOCC4

InChI

InChI=1S/C22H27N5O/c1-16(2)17-14-21(24-8-5-9-26-10-12-28-13-11-26)27-20-7-4-3-6-19(20)25-22(27)18(17)15-23/h3-4,6-7,14,16H,5,8-13H2,1-2H3,(H,24,25)/p+1