ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-(1-ethyl-4-piperidin-1-iumyl)-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C23H37N2O3+ MolecularWeight: 389.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCCC(C2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC[C@@](C2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H36N2O3/c1-3-24-16-11-20(12-17-24)25-15-8-13-23(19-25,22(26)27-4-2)14-18-28-21-9-6-5-7-10-21/h5-7,9-10,20H,3-4,8,11-19H2,1-2H3/p+1/t23-/m0/s1