methyl (2R)-4-(4-methoxyphenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-methoxyphenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-4-(4-methoxybenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2R)-4-[(4-methoxyphenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-methoxybenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2R)-4-p-anisoyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)OC)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C20H27N3O5/c1-27-16-5-3-14(4-6-16)18(24)22-11-12-23(17(13-22)20(26)28-2)19(25)15-7-9-21-10-8-15/h3-6,15,17,21H,7-13H2,1-2H3/p+1/t17-/m1/s1