N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCC2C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-14-10-11-18(23(25)26)20(15(14)2)21-19(24)13-22-12-6-9-17(22)16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-13H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1