(2S)-N-(2,6-dimethylphenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-1-[(2-nitrophenyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-(2-nitrophenyl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-1-[(2-nitrophenyl)thio]pyrrolidin-1-ium-2-carboxamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CCC[NH+]2SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCC[NH+]2SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-13-7-5-8-14(2)18(13)20-19(23)16-10-6-12-21(16)26-17-11-4-3-9-15(17)22(24)25/h3-5,7-9,11,16H,6,10,12H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1