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

Systemtic Name: 1-(hexylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(hexylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(hexylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(hexylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(hexylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)CCC)C#N

Isomeric SMILES

CCCCCCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)CCC)C#N

InChI

InChI=1S/C21H26N4/c1-3-5-6-9-13-23-20-14-16(10-4-2)17(15-22)21-24-18-11-7-8-12-19(18)25(20)21/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,23,24)/p+1