ethyl 4-[4-[4-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-piperidyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[4-[(3S)-3-hydroxy-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]piperidin-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]piperidino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H37N4O4+ MolecularWeight: 445.57498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCCC(C4)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C24H36N4O4/c1-2-32-24(31)27-16-14-26(15-17-27)23(30)19-5-7-20(8-6-19)25-12-9-21(10-13-25)28-11-3-4-22(29)18-28/h5-8,21-22,29H,2-4,9-18H2,1H3/p+1/t22-/m0/s1