ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O3/c1-2-28-22(27)24-13-9-20(10-14-24)25-16-15-23(21(18-25)11-17-26)12-8-19-6-4-3-5-7-19/h3-7,20-21,26H,2,8-18H2,1H3/p+1/t21-/m0/s1