ethyl 4-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H31ClN3O3+ MolecularWeight: 408.94214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C21H30ClN3O3/c1-2-28-21(27)25-13-9-16(10-14-25)20(26)23-15-19(24-11-5-6-12-24)17-7-3-4-8-18(17)22/h3-4,7-8,16,19H,2,5-6,9-15H2,1H3,(H,23,26)/p+1/t19-/m0/s1