ethyl 4-[(3S)-1-(2-cyclopentylethanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(2-cyclopentylethanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(2-cyclopentylacetyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(2-cyclopentyl-1-oxoethyl)-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(2-cyclopentylacetyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H34N3O3+ MolecularWeight: 352.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CC3CCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CC3CCCC3

InChI

InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-10-20(11-13-21)17-8-5-9-22(15-17)18(23)14-16-6-3-4-7-16/h16-17H,2-15H2,1H3/p+1/t17-/m0/s1