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

Systemtic Name: 1-[(4-bromophenyl)amino]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-bromoanilino)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(4-bromoanilino)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-bromoanilino)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-bromoanilino)-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H18BrN4+ MolecularWeight: 406.29842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4/c1-3-16-13(2)17(12-23)21-25-18-6-4-5-7-19(18)26(21)20(16)24-15-10-8-14(22)9-11-15/h4-11H,3H2,1-2H3,(H,24,25)/p+1