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

Systemtic Name: methyl (6S)-5-methyl-3-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ium-6-carboxylate Openeye Name: methyl (6S)-3-isopropyl-5-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ium-6-carboxylate CAS Name: (6S)-5-methyl-3-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ium-6-carboxylic acid methyl ester IUPAC Name: methyl (6S)-5-methyl-3-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ium-6-carboxylate Traditional Name: (6S)-3-isopropyl-5-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ium-6-carboxylic acid methyl ester Formula: C12H20N3O2+ MolecularWeight: 238.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C[NH+](C(C2)C(=O)OC)C

Isomeric SMILES

CC(C)N1C=NC2=C1C[NH+]([C@@H](C2)C(=O)OC)C

InChI

InChI=1S/C12H19N3O2/c1-8(2)15-7-13-9-5-10(12(16)17-4)14(3)6-11(9)15/h7-8,10H,5-6H2,1-4H3/p+1/t10-/m0/s1