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

Systemtic Name: 1-[3-(dimethylamino)propylamino]-3-methyl-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[3-(dimethylamino)propylamino]-3-methyl-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[3-(dimethylamino)propylamino]-3-methyl-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[3-(dimethylamino)propylamino]-3-methyl-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[3-(dimethylamino)propylamino]-3-methyl-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCCN(C)C

Isomeric SMILES

CCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCCN(C)C

InChI

InChI=1S/C21H27N5/c1-5-9-16-15(2)17(14-22)21-24-18-10-6-7-11-19(18)26(21)20(16)23-12-8-13-25(3)4/h6-7,10-11H,5,8-9,12-13H2,1-4H3,(H,23,24)/p+1