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

Systemtic Name: 2-(2-cyanoethyl)-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-(2-cyanoethyl)-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-(2-cyanoethyl)-3-methyl-1-[3-(4-morpholin-4-iumyl)propylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-(2-cyanoethyl)-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(2-cyanoethyl)-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H27N6O+ MolecularWeight: 403.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)NCCC[NH+]4CCOCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)NCCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C23H26N6O/c1-17-18(6-4-9-24)22(26-10-5-11-28-12-14-30-15-13-28)29-21-8-3-2-7-20(21)27-23(29)19(17)16-25/h2-3,7-8,26H,4-6,10-15H2,1H3/p+1