methyl (2S)-1-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[1-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C24H38N4O4+2 MolecularWeight: 446.58292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]1C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

COC(=O)[C@@H]1CCC[NH+]1C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C24H36N4O4/c1-31-24(30)22-3-2-11-28(22)21-8-12-27(13-9-21)20-6-4-19(5-7-20)23(29)25-10-14-26-15-17-32-18-16-26/h4-7,21-22H,2-3,8-18H2,1H3,(H,25,29)/p+2/t22-/m0/s1