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

Systemtic Name: ethyl 4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CSC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CSC=C3

InChI

InChI=1S/C17H27N3O2S/c1-2-22-17(21)20-9-7-19(8-10-20)16-4-3-6-18(13-16)12-15-5-11-23-14-15/h5,11,14,16H,2-4,6-10,12-13H2,1H3/p+1/t16-/m0/s1