2-(2-cyanoethyl)-3-methyl-1-[(phenylmethyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 2-(2-cyanoethyl)-3-methyl-1-[(phenylmethyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(benzylamino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-(2-cyanoethyl)-3-methyl-1-[(phenylmethyl)amino]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(benzylamino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(benzylamino)-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H20N5+ MolecularWeight: 366.4384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC#N)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC#N)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H19N5/c1-16-18(10-7-13-24)22(26-15-17-8-3-2-4-9-17)28-21-12-6-5-11-20(21)27-23(28)19(16)14-25/h2-6,8-9,11-12H,7,10,15H2,1H3,(H,26,27)/p+1