ethyl 3-[1-(azepan-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate

Systemtic Name: ethyl 3-[1-(azepan-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[1-(azepan-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[1-(1-azepanyl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(azepan-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[1-(azepan-1-yl)-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCCCCC4

Isomeric SMILES

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCCCCC4

InChI

InChI=1S/C24H28N4O2/c1-3-30-22(29)13-12-18-17(2)19(16-25)23-26-20-10-6-7-11-21(20)28(23)24(18)27-14-8-4-5-9-15-27/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3/p+1