ethyl (2S)-4-methyl-2-[6-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)hexanoylamino]pentanoate

Systemtic Name: ethyl (2S)-4-methyl-2-[6-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)hexanoylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[6-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)hexanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[6-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)-1-oxohexyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[6-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)hexanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[6-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)hexanoylamino]valeric acid ethyl ester Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-5-28-21(27)18(13-15(2)3)24-20(26)9-7-6-8-12-25-16(4)23-17-10-11-22-14-19(17)25/h10-11,14-15,18H,5-9,12-13H2,1-4H3,(H,24,26)/p+1/t18-/m0/s1