ethyl 4-[(2-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-(3-morpholin-4-ium-4-ylpropanoyl)isonipecotic acid ethyl ester Formula: C22H32ClN2O4+ MolecularWeight: 423.95348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CC[NH+]2CCOCC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CC[NH+]2CCOCC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H31ClN2O4/c1-2-29-21(27)22(17-18-5-3-4-6-19(18)23)8-11-25(12-9-22)20(26)7-10-24-13-15-28-16-14-24/h3-6H,2,7-17H2,1H3/p+1