2-butyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H30N5O+ MolecularWeight: 392.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCC[NH+]4CCOCC4

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCC[NH+]4CCOCC4

InChI

InChI=1S/C23H29N5O/c1-3-4-7-18-17(2)19(16-24)23-26-20-8-5-6-9-21(20)28(23)22(18)25-10-11-27-12-14-29-15-13-27/h5-6,8-9,25H,3-4,7,10-15H2,1-2H3/p+1