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

Systemtic Name: 3-methyl-2-propyl-1-(pyridin-3-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-methyl-2-propyl-1-(3-pyridylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-propyl-1-(3-pyridinylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-propyl-1-(pyridin-3-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-methyl-2-propyl-1-(3-pyridylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H22N5+ MolecularWeight: 356.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC4=CN=CC=C4

Isomeric SMILES

CCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC4=CN=CC=C4

InChI

InChI=1S/C22H21N5/c1-3-7-17-15(2)18(12-23)22-26-19-9-4-5-10-20(19)27(22)21(17)25-14-16-8-6-11-24-13-16/h4-6,8-11,13H,3,7,14H2,1-2H3,(H,25,26)/p+1