3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(4-methyl-1-piperazin-4-iumyl)-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(4-methylpiperazin-4-ium-1-yl)-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H24N5+ MolecularWeight: 346.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CC[NH+](CC4)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CC[NH+](CC4)C)C#N

InChI

InChI=1S/C21H23N5/c1-4-7-16-15(2)17(14-22)20-23-18-8-5-6-9-19(18)26(20)21(16)25-12-10-24(3)11-13-25/h4-6,8-9H,1,7,10-13H2,2-3H3/p+1