methyl (2S)-4-(phenylcarbonyl)-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(phenylcarbonyl)-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-benzoyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-benzoyl-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-benzoyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-benzoyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4/c1-26-19(25)16-13-21(17(23)14-5-3-2-4-6-14)11-12-22(16)18(24)15-7-9-20-10-8-15/h2-6,15-16,20H,7-13H2,1H3/p+1/t16-/m0/s1