3-methyl-2-(3-methylbutyl)-1-(pyridin-1-ium-4-ylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(pyridin-1-ium-4-ylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(pyridin-1-ium-4-ylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(4-pyridin-1-iumylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(pyridin-1-ium-4-ylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(pyridin-1-ium-4-ylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H25N5+2 MolecularWeight: 371.4781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NC4=CC=[NH+]C=C4)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NC4=CC=[NH+]C=C4)C#N

InChI

InChI=1S/C23H23N5/c1-15(2)8-9-18-16(3)19(14-24)23-27-20-6-4-5-7-21(20)28(23)22(18)26-17-10-12-25-13-11-17/h4-7,10-13,15H,8-9H2,1-3H3,(H,25,26,27)/p+2