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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)CCCCCCC[N+]1=CC2=C(C=C1)N=C(N2)C

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)CCCCCCC[N+]1=CC2=C(C=C1)N=C(N2)C

InChI

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