3-[(4-cyano-3-methyl-2-pentyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-cyano-3-methyl-2-pentyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-cyano-3-methyl-2-pentyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[(4-cyano-3-methyl-2-pentyl-1-pyrido[1,2-a]benzimidazolyl)amino]propyl-diethylammonium IUPAC Name: 3-[(4-cyano-3-methyl-2-pentylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethylazanium Traditional Name: 3-[(2-amyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-ammonium Formula: C25H36N5+ MolecularWeight: 406.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](CC)CC

Isomeric SMILES

CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](CC)CC

InChI

InChI=1S/C25H35N5/c1-5-8-9-13-20-19(4)21(18-26)25-28-22-14-10-11-15-23(22)30(25)24(20)27-16-12-17-29(6-2)7-3/h10-11,14-15,27H,5-9,12-13,16-17H2,1-4H3/p+1