[(E)-[1-azanyl-2-[(2S)-3-cyclopropyl-1,2-dihydroimidazo[4,5-b]pyridin-4-ium-2-yl]ethylidene]amino] 2-chloranylethanoate

Systemtic Name: [(E)-[1-azanyl-2-[(2S)-3-cyclopropyl-1,2-dihydroimidazo[4,5-b]pyridin-4-ium-2-yl]ethylidene]amino] 2-chloranylethanoate Openeye Name: [(E)-[1-amino-2-[(2S)-3-cyclopropyl-1,2-dihydroimidazo[4,5-b]pyridin-4-ium-2-yl]ethylidene]amino] 2-chloroacetate CAS Name: 2-chloroacetic acid [(E)-[1-amino-2-[(2S)-3-cyclopropyl-1,2-dihydroimidazo[4,5-b]pyridin-4-ium-2-yl]ethylidene]amino] ester IUPAC Name: [(E)-[1-amino-2-[(2S)-3-cyclopropyl-1,2-dihydroimidazo[4,5-b]pyridin-4-ium-2-yl]ethylidene]amino] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(E)-[1-amino-2-[(2S)-3-cyclopropyl-1,2-dihydroimidazo[4,5-b]pyridin-4-ium-2-yl]ethylidene]amino] ester Formula: C13H17ClN5O2+ MolecularWeight: 310.75938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(NC3=C2[NH+]=CC=C3)CC(=NOC(=O)CCl)N

Isomeric SMILES

C1CC1N2[C@H](NC3=C2[NH+]=CC=C3)C/C(=N\OC(=O)CCl)/N

InChI

InChI=1S/C13H16ClN5O2/c14-7-12(20)21-18-10(15)6-11-17-9-2-1-5-16-13(9)19(11)8-3-4-8/h1-2,5,8,11,17H,3-4,6-7H2,(H2,15,18)/p+1/t11-/m0/s1