3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[(4-cyano-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethylazanium Traditional Name: 3-[(4-cyano-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-ammonium Formula: C25H37N5+2 MolecularWeight: 407.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CCC(C)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CCC(C)C

InChI

InChI=1S/C25H35N5/c1-6-29(7-2)16-10-15-27-24-20(14-13-18(3)4)19(5)21(17-26)25-28-22-11-8-9-12-23(22)30(24)25/h8-9,11-12,18H,6-7,10,13-16H2,1-5H3,(H,27,28)/p+2