methyl (2S,4S)-1-[(4-propan-2-ylphenyl)methyl]-4-(pyridin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(4-propan-2-ylphenyl)methyl]-4-(pyridin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(4-isopropylphenyl)methyl]-4-(pyridine-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[oxo(2-pyridinyl)methyl]amino]-1-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(4-propan-2-ylphenyl)methyl]-4-(pyridine-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-isopropylbenzyl)-4-picolinamido-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O3/c1-15(2)17-9-7-16(8-10-17)13-25-14-18(12-20(25)22(27)28-3)24-21(26)19-6-4-5-11-23-19/h4-11,15,18,20H,12-14H2,1-3H3,(H,24,26)/p+1/t18-,20-/m0/s1