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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(phenethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H29N4+ MolecularWeight: 397.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H28N4/c1-18(2)13-14-21-19(3)22(17-27)26-29-23-11-7-8-12-24(23)30(26)25(21)28-16-15-20-9-5-4-6-10-20/h4-12,18H,13-16H2,1-3H3,(H,28,29)/p+1