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

Systemtic Name: 2-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyano-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyano-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-diethyl-ammonium Formula: C21H29N5+2 MolecularWeight: 351.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(C)C)C#N

Isomeric SMILES

CC[NH+](CC)CCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(C)C)C#N

InChI

InChI=1S/C21H27N5/c1-5-25(6-2)12-11-23-20-13-16(15(3)4)17(14-22)21-24-18-9-7-8-10-19(18)26(20)21/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,23,24)/p+2