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

Systemtic Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O/c1-3-6-17-16(2)18(15-23)22-25-19-7-4-5-8-20(19)27(22)21(17)24-9-10-26-11-13-28-14-12-26/h3-5,7-8,24H,1,6,9-14H2,2H3/p+1