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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(2-methylpropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(isobutylamino)-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(2-methylpropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(2-methylpropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-1-(isobutylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H29N4+ MolecularWeight: 349.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCC(C)C)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCC(C)C)C#N

InChI

InChI=1S/C22H28N4/c1-14(2)10-11-17-16(5)18(12-23)22-25-19-8-6-7-9-20(19)26(22)21(17)24-13-15(3)4/h6-9,14-15H,10-11,13H2,1-5H3,(H,24,25)/p+1