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

Systemtic Name: ethyl 4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-2-23-17(21)20-9-7-19(8-10-20)16-4-3-6-18(13-16)12-15-5-11-22-14-15/h5,11,14,16H,2-4,6-10,12-13H2,1H3/p+1/t16-/m0/s1