(2S)-N-(4-methylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: (2S)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-N-(p-tolyl)acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-(3-nitrophenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: (2S)-2-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-N-(p-tolyl)acetamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-15-8-10-17(11-9-15)21-20(24)19(22-12-3-2-4-13-22)16-6-5-7-18(14-16)23(25)26/h5-11,14,19H,2-4,12-13H2,1H3,(H,21,24)/p+1/t19-/m0/s1