(2S)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C2=CC(=CC=C2)[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C21H25N3O3/c1-15-8-6-9-16(2)19(15)22-21(25)20(23-12-4-3-5-13-23)17-10-7-11-18(14-17)24(26)27/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,22,25)/p+1/t20-/m0/s1