methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-piperidin-2-yl]ethanoate chloride

Systemtic Name: methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-piperidin-2-yl]ethanoate chloride Openeye Name: methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-2-piperidyl]acetate chloride CAS Name: (2S)-2-(4-nitrophenyl)-2-[(2S)-2-piperidinyl]acetic acid methyl ester chloride IUPAC Name: methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-piperidin-2-yl]acetate chloride Traditional Name: (2S)-2-(4-nitrophenyl)-2-[(2S)-2-piperidyl]acetic acid methyl ester chloride Formula: C14H18ClN2O4- MolecularWeight: 313.75672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

COC(=O)[C@H]([C@@H]1CCCCN1)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H18N2O4.ClH/c1-20-14(17)13(12-4-2-3-9-15-12)10-5-7-11(8-6-10)16(18)19;/h5-8,12-13,15H,2-4,9H2,1H3;1H/p-1/t12-,13-;/m0./s1