3-methyl-2-octyl-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-2-octyl-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-methyl-2-octyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-octyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-octyl-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-keto-3-methyl-2-octyl-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C2NC3C=CC=CC3=[N+]2C1=O)C#N)C

Isomeric SMILES

CCCCCCCCC1=C(C(=C2NC3C=CC=CC3=[N+]2C1=O)C#N)C

InChI

InChI=1S/C21H25N3O/c1-3-4-5-6-7-8-11-16-15(2)17(14-22)20-23-18-12-9-10-13-19(18)24(20)21(16)25/h9-10,12-13,18H,3-8,11H2,1-2H3/p+1