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

Systemtic Name: 2-butyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-[3-(4-morpholin-4-iumyl)propylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+]4CCOCC4

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H31N5O/c1-3-4-8-19-18(2)20(17-25)24-27-21-9-5-6-10-22(21)29(24)23(19)26-11-7-12-28-13-15-30-16-14-28/h5-6,9-10,26H,3-4,7-8,11-16H2,1-2H3/p+1