ethyl 4-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(3-cyclopentylpropyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(3-cyclopentylpropyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H38N3O2+ MolecularWeight: 352.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CCCC3CCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CCCC3CCCC3

InChI

InChI=1S/C20H37N3O2/c1-2-25-20(24)23-15-13-22(14-16-23)19-10-6-12-21(17-19)11-5-9-18-7-3-4-8-18/h18-19H,2-17H2,1H3/p+1/t19-/m0/s1