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

Systemtic Name: 1-(3-oxidanylpropylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(3-hydroxypropylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3-hydroxypropylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(3-hydroxypropylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(3-hydroxypropylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCCO

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCCO

InChI

InChI=1S/C18H20N4O/c1-2-6-13-11-17(20-9-5-10-23)22-16-8-4-3-7-15(16)21-18(22)14(13)12-19/h3-4,7-8,11,23H,2,5-6,9-10H2,1H3,(H,20,21)/p+1