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

Systemtic Name: 1-[3-(dimethylamino)propylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[3-(dimethylamino)propylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[3-(dimethylamino)propylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[3-(dimethylamino)propylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[3-(dimethylamino)propylamino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5/c1-4-8-15-13-19(22-11-7-12-24(2)3)25-18-10-6-5-9-17(18)23-20(25)16(15)14-21/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,22,23)/p+1