2-butyl-1-[(4-fluorophenyl)amino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 2-butyl-1-[(4-fluorophenyl)amino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-butyl-1-(4-fluoroanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-butyl-1-(4-fluoroanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-butyl-1-(4-fluoroanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-butyl-1-(4-fluoroanilino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H22FN4+ MolecularWeight: 373.445983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4/c1-3-4-7-18-15(2)19(14-25)23-27-20-8-5-6-9-21(20)28(23)22(18)26-17-12-10-16(24)11-13-17/h5-6,8-13H,3-4,7H2,1-2H3,(H,26,27)/p+1