methyl (6S)-5-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate

Systemtic Name: methyl (6S)-5-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Openeye Name: methyl (6S)-5-isopropyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate CAS Name: (6S)-5-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylic acid methyl ester IUPAC Name: methyl (6S)-5-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate Traditional Name: (6S)-5-isopropyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylic acid methyl ester Formula: C11H18N3O2+ MolecularWeight: 224.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=C(CC1C(=O)OC)N=CN2

Isomeric SMILES

CC(C)[NH+]1CC2=C(C[C@H]1C(=O)OC)N=CN2

InChI

InChI=1S/C11H17N3O2/c1-7(2)14-5-9-8(12-6-13-9)4-10(14)11(15)16-3/h6-7,10H,4-5H2,1-3H3,(H,12,13)/p+1/t10-/m0/s1