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

Systemtic Name: ethyl (2S)-4-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)butanoylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)butanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[4-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)-1-oxobutyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)butanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)butanoylamino]valeric acid ethyl ester Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-5-26-19(25)16(11-13(2)3)22-18(24)7-6-10-23-14(4)21-15-8-9-20-12-17(15)23/h8-9,12-13,16H,5-7,10-11H2,1-4H3,(H,22,24)/p+1/t16-/m0/s1