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

Systemtic Name: 2-butyl-1-[3-(dimethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-butyl-1-[3-(dimethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-butyl-1-[3-(dimethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-butyl-1-[3-(dimethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-butyl-1-[3-(dimethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H30N5+ MolecularWeight: 364.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCCN(C)C

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCCN(C)C

InChI

InChI=1S/C22H29N5/c1-5-6-10-17-16(2)18(15-23)22-25-19-11-7-8-12-20(19)27(22)21(17)24-13-9-14-26(3)4/h7-8,11-12H,5-6,9-10,13-14H2,1-4H3,(H,24,25)/p+1