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

Systemtic Name: 3-methyl-1-(2-piperidin-1-ium-1-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(2-piperidin-1-ium-1-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[2-(1-piperidin-1-iumyl)ethylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(2-piperidin-1-ium-1-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(2-piperidin-1-ium-1-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C20H24N5+ MolecularWeight: 334.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCCCC4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC[NH+]4CCCCC4)C#N

InChI

InChI=1S/C20H23N5/c1-15-13-19(22-9-12-24-10-5-2-6-11-24)25-18-8-4-3-7-17(18)23-20(25)16(15)14-21/h3-4,7-8,13,22H,2,5-6,9-12H2,1H3/p+1