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

Systemtic Name: methyl (2S)-4-(phenylcarbamoyl)-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(phenylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-[anilino(oxo)methyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(phenylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-(phenylcarbamoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O4/c1-27-18(25)16-13-22(19(26)21-15-5-3-2-4-6-15)11-12-23(16)17(24)14-7-9-20-10-8-14/h2-6,14,16,20H,7-13H2,1H3,(H,21,26)/p+1/t16-/m0/s1