ethyl (2S)-4-methyl-2-[8-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)octanoylamino]pentanoate

Systemtic Name: ethyl (2S)-4-methyl-2-[8-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)octanoylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[8-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)octanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[8-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)-1-oxooctyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[8-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)octanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[8-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)octanoylamino]valeric acid ethyl ester Formula: C23H37N4O3+ MolecularWeight: 417.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)CCCCCCC[N+]1=C(NC2=C1C=NC=C2)C

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)CCCCCCC[N+]1=C(NC2=C1C=NC=C2)C

InChI

InChI=1S/C23H36N4O3/c1-5-30-23(29)20(15-17(2)3)26-22(28)11-9-7-6-8-10-14-27-18(4)25-19-12-13-24-16-21(19)27/h12-13,16-17,20H,5-11,14-15H2,1-4H3,(H,26,28)/p+1/t20-/m0/s1