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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-pyrrolidin-1-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-pyrrolidin-1-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(1-pyrrolidinyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-pyrrolidin-1-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-pyrrolidino-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)N4CCCC4)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)N4CCCC4)C#N

InChI

InChI=1S/C22H26N4/c1-15(2)10-11-17-16(3)18(14-23)21-24-19-8-4-5-9-20(19)26(21)22(17)25-12-6-7-13-25/h4-5,8-9,15H,6-7,10-13H2,1-3H3/p+1