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

Systemtic Name: 3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[3-(4-morpholin-4-iumyl)propylamino]-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)NCCC[NH+]4CCOCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)NCCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C23H27N5O/c1-3-7-18-17(2)19(16-24)23-26-20-8-4-5-9-21(20)28(23)22(18)25-10-6-11-27-12-14-29-15-13-27/h3-5,8-9,25H,1,6-7,10-15H2,2H3/p+1