ethyl 4-[(3R)-3-[[2-(4-methoxyphenyl)ethanoylamino]methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-3-[[2-(4-methoxyphenyl)ethanoylamino]methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R)-3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H36N3O4+ MolecularWeight: 418.54964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)CNC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)CNC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H35N3O4/c1-3-30-23(28)25-13-10-20(11-14-25)26-12-4-5-19(17-26)16-24-22(27)15-18-6-8-21(29-2)9-7-18/h6-9,19-20H,3-5,10-17H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1