methyl 1-[(3R,5S)-5-(phenethylcarbamoyl)-1-propan-2-yl-pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(3R,5S)-5-(phenethylcarbamoyl)-1-propan-2-yl-pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(3R,5S)-1-isopropyl-5-(phenethylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylate CAS Name: 1-[(3R,5S)-5-[oxo-(phenethylamino)methyl]-1-propan-2-yl-3-pyrrolidin-1-iumyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R,5S)-5-(phenethylcarbamoyl)-1-propan-2-ylpyrrolidin-1-ium-3-yl]triazole-4-carboxylate Traditional Name: 1-[(3R,5S)-1-isopropyl-5-(phenethylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylic acid methyl ester Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CC1C(=O)NCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)OC

Isomeric SMILES

CC(C)[NH+]1C[C@@H](C[C@H]1C(=O)NCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)OC

InChI

InChI=1S/C20H27N5O3/c1-14(2)24-12-16(25-13-17(22-23-25)20(27)28-3)11-18(24)19(26)21-10-9-15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3,(H,21,26)/p+1/t16-,18+/m1/s1