1-(3-morpholin-4-ium-4-ylpropylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(3-morpholin-4-ium-4-ylpropylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[3-(4-morpholin-4-iumyl)propylamino]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(3-morpholin-4-ium-4-ylpropylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC[NH+]4CCOCC4)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC[NH+]4CCOCC4)C#N

InChI

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