1-(2-diethylaminoethylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-(2-diethylaminoethylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(2-diethylaminoethylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(2-diethylaminoethylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(2-diethylaminoethylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(2-diethylaminoethylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCN(CC)CC

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCN(CC)CC

InChI

InChI=1S/C21H27N5/c1-4-9-16-14-20(23-12-13-25(5-2)6-3)26-19-11-8-7-10-18(19)24-21(26)17(16)15-22/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,23,24)/p+1