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

Systemtic Name: 3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-pentyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-pentyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[3-(4-morpholin-4-iumyl)propylamino]-2-pentyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-amyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+]4CCOCC4

Isomeric SMILES

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H33N5O/c1-3-4-5-9-20-19(2)21(18-26)25-28-22-10-6-7-11-23(22)30(25)24(20)27-12-8-13-29-14-16-31-17-15-29/h6-7,10-11,27H,3-5,8-9,12-17H2,1-2H3/p+1