ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1-ethyl-4-piperidin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-ethylpiperidin-1-ium-4-yl)nipecotic acid ethyl ester Formula: C15H29N2O2+ MolecularWeight: 269.40296

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C15H28N2O2/c1-3-16-10-7-14(8-11-16)17-9-5-6-13(12-17)15(18)19-4-2/h13-14H,3-12H2,1-2H3/p+1/t13-/m0/s1