ethyl (2S)-4-methyl-2-[10-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)undecanoylamino]pentanoate

Systemtic Name: ethyl (2S)-4-methyl-2-[10-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)undecanoylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[10-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)undecanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[10-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)-1-oxoundecyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[10-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)undecanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[10-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)undecanoylamino]valeric acid ethyl ester Formula: C26H43N4O3+ MolecularWeight: 459.64462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N4O3/c1-6-33-26(32)23(17-19(2)3)29-25(31)14-12-10-8-7-9-11-13-20(4)30-21(5)28-22-15-16-27-18-24(22)30/h15-16,18-20,23H,6-14,17H2,1-5H3,(H,29,31)/p+1/t20?,23-/m0/s1