3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-methyl-1-[4-(2-methylallyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-methyl-1-[4-(2-methylallyl)piperazin-4-ium-1-yl]-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H25N5+2 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC(=C)C

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC(=C)C

InChI

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