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

Systemtic Name: ethyl (2S)-4-methyl-2-[4-(2-methyl-3H-imidazo[4,5-c]pyridin-5-ium-5-yl)butanoylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[4-(2-methyl-3H-imidazo[4,5-c]pyridin-5-ium-5-yl)butanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[4-(2-methyl-3H-imidazo[4,5-c]pyridin-5-ium-5-yl)-1-oxobutyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[4-(2-methyl-3H-imidazo[4,5-c]pyridin-5-ium-5-yl)butanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[4-(2-methyl-3H-imidazo[4,5-c]pyridin-5-ium-5-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=CC2=C(C=C1)N=C(N2)C

Isomeric SMILES

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

InChI

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