(2S)-N-(2,4-dimethylphenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-1-[(2-nitrophenyl)thio]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-1-(2-nitrophenyl)sulfanylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(2,4-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=CC(=C(C=C1)NC(=O)C2CCC[NH+]2SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-13-9-10-15(14(2)12-13)20-19(23)17-7-5-11-21(17)26-18-8-4-3-6-16(18)22(24)25/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3,(H,20,23)/p+1/t17-/m0/s1