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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(2-morpholin-4-ium-4-ylethylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[2-(4-morpholin-4-iumyl)ethylamino]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(2-morpholin-4-ium-4-ylethylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(2-morpholin-4-ium-4-ylethylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCOCC4)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C21H25N5O/c1-2-5-16-14-20(23-8-9-25-10-12-27-13-11-25)26-19-7-4-3-6-18(19)24-21(26)17(16)15-22/h3-4,6-7,14,23H,2,5,8-13H2,1H3/p+1