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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(3-methylbutylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-1-(isopentylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(3-methylbutylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(3-methylbutylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-1-(isoamylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H31N4+ MolecularWeight: 363.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4/c1-15(2)10-11-18-17(5)19(14-24)23-26-20-8-6-7-9-21(20)27(23)22(18)25-13-12-16(3)4/h6-9,15-16H,10-13H2,1-5H3,(H,25,26)/p+1