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

Systemtic Name: 1-(hexylamino)-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-allyl-1-(hexylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(hexylamino)-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(hexylamino)-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-allyl-1-(hexylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC=C

Isomeric SMILES

CCCCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC=C

InChI

InChI=1S/C22H26N4/c1-4-6-7-10-14-24-21-17(11-5-2)16(3)18(15-23)22-25-19-12-8-9-13-20(19)26(21)22/h5,8-9,12-13H,2,4,6-7,10-11,14H2,1,3H3,(H,24,25)/p+1